2,5-Dihydroxyterephthalic acid
PubChem CID: 69131
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| Compound Synonyms | 2,5-Dihydroxyterephthalic acid, 610-92-4, 1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, MFCD00132933, 2,5-dihydroxybenzene-1,4-dicarboxylic acid, EINECS 210-239-4, AI3-17877, CHEMBL4464247, DTXSID30209867, NSC 407960, 2,5-dihydroxyterephthalicacid, 2,5-Dihydroxy-1,4-benzenedicarboxylic acid, 1, 2,5-dihydroxy-, SCHEMBL163610, DTXCID80132358, 2,5-Dihydroxyterephthalic acid #, BCP15405, BDBM50521008, NSC407960, 2,5-Dihydroxyterephthalic acid, 98%, AKOS015917236, CS-W004616, FD31020, NSC-407960, SY037076, TS-00321, DB-053790, D3899, NS00034563, 2,5-Dihydroxyterephthalic Acid, 98+ Percent, EN300-154440, O10613, AQ-776/42801115, 210-239-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Simple phenolic acids |
| Deep Smiles | OC=O)cccO)ccc6O)))C=O)O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dihydroxyterephthalic acid |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H6O6 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | OYFRNYNHAZOYNF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2,5-dihydroxy terephthalic acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cO |
| Compound Name | 2,5-Dihydroxyterephthalic acid |
| Exact Mass | 198.016 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.016 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 198.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14) |
| Smiles | C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenolic acids (C6-C1) |
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