3-(4-Hydroxyphenyl)pyruvate
PubChem CID: 6971070
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| Compound Synonyms | 3-(4-Hydroxyphenyl)pyruvate, p-hydroxyphenylpyruvate, 3-(4-hydroxyphenyl)-2-oxopropanoate, hydroxyphenylpyruvate, (4-hydroxyphenyl)pyruvate, 3-(p-Hydroxyphenyl)pyruvate, 622-54-8, CHEBI:36242, DTXSID001238038, BDBM50269993, Q27104348, Benzenepropanoic acid, 4-hydroxy-I+/--oxo-, ion(1-) |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 198.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(4-hydroxyphenyl)-2-oxopropanoate |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H7O4- |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKADPXVIOXHVKN-UHFFFAOYSA-M |
| Fcsp3 | 0.1111111111111111 |
| Logs | -0.895 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.241 |
| Compound Name | 3-(4-Hydroxyphenyl)pyruvate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 179.034 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 179.034 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 179.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6675746615384615 |
| Inchi | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1 |
| Smiles | C1=CC(=CC=C1CC(=O)C(=O)[O-])O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limon (Plant) Rel Props:Source_db:cmaup_ingredients