3-(4-Hydroxyphenyl)pyruvate
Basic information
- CAS
622-54-8- Standard SMILES
O=C([O-])C(=O)Cc1ccc(O)cc1- InChIKey
KKADPXVIOXHVKN-UHFFFAOYSA-M- Molecular formula
- C9H7O4-
- Average molar mass
- 179.15 g/mol
- Monoisotopic mass
- 179.0344337
Overview
3-(4-hydroxyphenyl)pyruvate is a 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is functionally related to a pyruvate. It is a conjugate base of a 4-hydroxyphenylpyruvic acid.
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)pyruvate
- IUPAC
- 3-(4-hydroxyphenyl)-2-oxopropanoate
Names & synonyms
3-(4-Hydroxyphenyl)pyruvatep-hydroxyphenylpyruvateCHEBI:36242RefChem:10668683-(4-hydroxyphenyl)-2-oxopropanoatehydroxyphenylpyruvate3-(p-Hydroxyphenyl)pyruvate622-54-8(4-hydroxyphenyl)pyruvateDTXSID001238038BDBM50269993Q27104348
Show more names
Benzenepropanoic acid, 4-hydroxy-I+/--oxo-, ion(1-)
Database identifiers
- CAS
622-54-8- PubChem CID
- 6971070
- DTXSID
DTXSID001238038- ChEBI
CHEBI:36242
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- -1
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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