Methoxymaleic acid
PubChem CID: 5366084
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| Compound Synonyms | Methoxymaleic acid, 2-Methoxymaleic acid, Methoxymalic acid, SCHEMBL542266, SCHEMBL542268, AHJCDQGRYVBQQZ-NSCUHMNNSA-N, (2E)-2-Methoxy-2-butenedioic acid, (E)-2-methoxy-but-2-enedioic acid, AKOS006374592, (2E)-2-Methoxy-2-butenedioic acid # |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | AHJCDQGRYVBQQZ-NSCUHMNNSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | (2E)-2-Methoxybut-2-enedioate, Methoxymalate |
| Heavy Atom Count | 10.0 |
| Compound Name | Methoxymaleic acid |
| Kingdom | Organic compounds |
| Description | Methoxymalic acid, also known as methoxymalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Methoxymalic acid is soluble (in water) and an extremely strong acidic compound (based on its pKa). Methoxymalic acid can be found in oat, which makes methoxymalic acid a potential biomarker for the consumption of this food product. |
| Exact Mass | 146.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.022 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 146.1 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-2-methoxybut-2-enedioic acid |
| Total Atom Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Total Bond Stereocenter Count | 1.0 |
| Class | Carboxylic acids and derivatives |
| Inchi | InChI=1S/C5H6O5/c1-10-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+ |
| Smiles | CO/C(=C/C(=O)O)/C(=O)O |
| Xlogp | -0.3 |
| Superclass | Organic acids and derivatives |
| Defined Bond Stereocenter Count | 1.0 |
| Subclass | Dicarboxylic acids and derivatives |
| Taxonomy Direct Parent | Dicarboxylic acids and derivatives |
| Molecular Formula | C5H6O5 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:fooddb_chem_all