2-(Hydroxymethyl)-2-propenoic acid
PubChem CID: 199534
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| Compound Synonyms | 2-(hydroxymethyl)prop-2-enoic acid, 4370-80-3, 2-(Hydroxymethyl)acrylic acid, 2-(Hydroxymethyl)-2-propenoic acid, Hydroxymethylacrylic acid, Acide hydroxymethylacrylique [French], Acide hydroxymethylacrylique, 2-Propenoic acid, 2-(hydroxymethyl)-, Acrylic acid, 2-(hydroxymethyl)-, Acrylic acid, 2-(hydroxymethyl)- (7CI), SCHEMBL136796, Hydracrylic acid, 2-methylene-, CHEMBL1256640, DTXSID70195912, AAMTXHVZOHPPQR-UHFFFAOYSA-N, MFCD01938626, 3-hydroxy-2-methylidenepropionic acid, AKOS013433003, CS-0234763, EN300-147050, F88387, 75750-58-2, 825-545-9 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Branched fatty acids |
| Deep Smiles | OCC=C)C=O)O |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Beta hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 95.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(hydroxymethyl)prop-2-enoic acid |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H6O3 |
| Inchi Key | AAMTXHVZOHPPQR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | hydroxymethylacrylic acid |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C(=O)O, CO |
| Compound Name | 2-(Hydroxymethyl)-2-propenoic acid |
| Exact Mass | 102.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.032 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 102.09 |
| 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/C4H6O3/c1-3(2-5)4(6)7/h5H,1-2H2,(H,6,7) |
| Smiles | C=C(CO)C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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FOUND_INto/from Cynara Scolymus (Plant) Rel Props:Reference:ISBN:9788185042053