Oxalic Acid
PubChem CID: 971
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| Compound Synonyms | oxalic acid, ethanedioic acid, 144-62-7, Aktisal, Aquisal, Oxiric acid, Oxaalzuur, Oxalsaeure, Kyselina stavelova, Acide oxalique, Acido ossalico, Caswell No. 625, Acidum oxalicum, Ethanedionic acid, NCI-C55209, Ethane-1,2-dioic acid, Oxaalzuur [Dutch], Oxalsaeure [German], Acide oxalique [French], CCRIS 1454, Acido ossalico [Italian], EPA Pesticide Chemical Code 009601, HSDB 1100, Kyselina stavelova [Czech], HOOCCOOH, Oxalic acid anhydrous, AI3-26463, NSC 62774, Ethandisaeure, C2H2O4, BRN 0385686, Acid, Oxalic, EINECS 205-634-3, H2ox, UNII-9E7R5L6H31, DTXSID0025816, CHEBI:16995, 9E7R5L6H31, MFCD00002573, NSC-62774, DTXCID805816, Oxalicacid, EC 205-634-3, 4-02-00-01819 (Beilstein Handbook Reference), bis(5-azaspiro[2.5]octan-8-ol), bis((2R)-azetidine-2-carbonitrile), ETHANEDIOIC ACID DIHYDRATE, bis(1-(3-methyloxetan-3-yl)ethan-1-amine), C00209, Oxalic acid alpha polymorph, Oxalic acid diammonium salt, CAS-144-62-7, OXD, OXALIPLATIN IMPURITY A (EP IMPURITY), OXALIPLATIN IMPURITY A [EP IMPURITY], NSC115893, Oxalic acid (aqueous), Ethanedionate, Oxagel, 2dua, 2hwg, Oxalic Acid Dianion, Anhydrous oxalic acid, Ethane-1,2-dioate, Oxalic acid, 98%, Oxalic acid (8CI), oxalic acid 2 hydrate, Oxalic acid, anhydrous, Oxalic acid 2-Hydrate, 1o4n, 1t5a, Oxalic acid 10 microg/mL in Acetonitrile, WLN: QVVQ, Ethanedioic acid (9CI), OXALIC ACID [MI], Oxalic acid dihydrate ACS, Ultraplast Activate S 52, bmse000106, OXALIC ACID [HSDB], NCIOpen2_000770, NCIOpen2_001022, NCIOpen2_001042, NCIOpen2_001202, NCIOpen2_008831, OXALIC ACID [VANDF], OXALIC ACID, 99%, Oxalic acid /Ethanedioic acid, OXALIC ACID [WHO-DD], Oxalic acid, AR, >=99%, Oxalic acid, LR, >=98%, CHEMBL146755, Oxalic acid, 99% (Standard), Ethanedioic acid, Aktisal, Aquisal, Oxalic acid, analytical standard, BDBM14674, HY-Y0262R, HY-Y0262, NSC62774, STR01359, Tox21_202122, Tox21_303346, BBL003000, NCI-55209, s9354, STK379550, AKOS005449445, CCG-266020, DB03902, FO26604, SB40938, SB40959, SB40985, Oxalic acid, ReagentPlus(R), >=99%, NCGC00249170-01, NCGC00257376-01, NCGC00259671-01, BP-21133, Oxalic acid, SAJ first grade, >=97.0%, CS-0013716, NS00077150, Oxalic acid, Vetec(TM) reagent grade, 98%, EN300-16428, G73503, Oxalic acid, purum, anhydrous, >=97.0% (RT), Q184832, F1B1B2D7-C290-4CE6-8550-F25B202AFADE, F2191-0257, Oxalic acid, puriss. p.a., anhydrous, >=99.0% (RT), Oxalic acid, purified grade, 99.999% trace metals basis, InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6, Oxalate standard for IC, 1.000 g/L in H2O, analytical standard, bis(tert-butyl 4-[3-(methanesulfonyloxy)propyl]piperazine-1-carboxylate), 205-634-3, 48J |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Dicarboxylic acids |
| Deep Smiles | OC=O)C=O)O |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Description | Oxalic acid, also known as oxalate or ethanedioic acid, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Oxalic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Oxalic acid can be found in a number of food items such as grape, sacred lotus, orange mint, and date, which makes oxalic acid a potential biomarker for the consumption of these food products. Oxalic acid can be found primarily in blood, saliva, sweat, and urine, as well as throughout most human tissues. Oxalic acid exists in all living organisms, ranging from bacteria to humans. Moreover, oxalic acid is found to be associated with fumarase deficiency, glycolic aciduria, hemodialysis, and primary hyperoxaluria I. Oxalic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Oxalic acids acid strength is much greater than that of acetic acid. Oxalic acid is a reducing agent and its conjugate base, known as oxalate (C 2O2− 4), is a chelating agent for metal cations. Typically, oxalic acid occurs as the dihydrate with the formula C2H2O4·2H2O . Acute Exposure: If oxalic acid is swallowed, immediately give the person water or milk, unless instructed otherwise by a health care provider. DO NOT give water or milk if the person is having symptoms (such as vomiting, convulsions, or a decreased level of alertness) that make it hard to swallow. If acute exposure occurs to the eyes, irrigate opened eyes for several minutes under running water. |
| Classyfire Subclass | Dicarboxylic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P12931, O94956 |
| Iupac Name | oxalic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.3 |
| Superclass | Organic acids and derivatives |
| Subclass | Dicarboxylic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C2H2O4 |
| Inchi Key | MUBZPKHOEPUJKR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | Ethandisaeure, Ethane-1,2-dioic acid, Ethanedioic acid, H2Ox, HOOCCOOH, Oxalsaeure, Ethane-1,2-dioate, Ethanedioate, Oxalate, Ammonium oxalate, Ethanedioic acid dihydrate, Ethanedionate, Ethanedionic acid, Kyselina stavelova, Oxaalzuur, Oxalic acid 2-hydrate, Oxalic acid anhydrous, Oxalic acid diammonium salt, Oxalic acid dihydrate, Acid, oxalic, Aluminum oxalate, Chromium (3+) oxalate (3:2), Dipotassium oxalate, Iron oxalate, Magnesium oxalate, Magnesium oxalate (1:1), Oxalate, dilithium, Oxalate, disodium, Oxalate, monohydrogen monopotassium, Oxalate, monopotassium, Oxalate, potassium, Chromium oxalate, Dilithium oxalate, Manganese (2+) oxalate (1:1), Monosodium oxalate, Oxalate, chromium, Oxalate, dipotassium, Oxalate, magnesium, Oxalate, monosodium, Oxalate, potassium chromium, Oxalate, sodium, Potassium oxalate, Potassium oxalate (2:1), Diammonium oxalate, Disodium oxalate, Oxalate, aluminum, Oxalate, diammonium, Oxalate, ferric, Oxalate, monoammonium, Potassium chromium oxalate, Chromium (2+) oxalate, Ferric oxalate, Iron (2+) oxalate (1:1), Iron (3+) oxalate, Monoammonium oxalate, Monohydrogen monopotassium oxalate, Monopotassium oxalate, Oxalate, iron, Sodium oxalate, Oxalic acid, ethanedioic acid, oxalic acid, oxalic-acid |
| Esol Class | Very soluble |
| Functional Groups | O=C(O)C(=O)O |
| Compound Name | Oxalic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 89.9953 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 89.9953 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 90.03 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) |
| Smiles | C(=O)(C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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