Compound: phenylpyruvic acid
SMILES: O=C(O)C(=O)Cc1ccccc1
InChIKey: BTNMPGBKDVTSJY-UHFFFAOYSA-N
Synonyms: phenylpyruvic acid, 2-Oxo-3-phenylpropanoic acid, 156-06-9, 3-Phenylpyruvic acid, beta-Phenylpyruvic acid, 3-Phenyl-2-oxopropanoic acid, 2-OXO-3-PHENYLPROPIONIC ACID, keto-phenylpyruvic acid, Benzenepropanoic acid, alpha-oxo-, alpha-ketohydrocinnamic acid, 2-Oxo-3-phenylpropanic acid, DTXSID1042281, CHEBI:30851, X7CO62M413, alpha-oxo-benzenepropanoic acid, DTXCID9022281, RefChem:861822, 205-847-1, phenylpyruvate, Pyruvic acid, phenyl-, Phenyl pyruvic acid, Phenylpyroracemic acid, 3-phenyl-2-oxopropanoate, Benzenepropanoic acid, .alpha.-oxo-, MFCD00002589, .beta.-Phenylpyruvic acid, 2-oxo-3-phenyl-propionic acid, a-Oxobenzenepropanoic Acid, b-phenylpyruvic acid, PPY, 2-oxo-3-phenyl-propanoic acid, alpha-ketophenylalanine, alpha-Keto-DL-phenylalanine, UNII-X7CO62M413, b-Phenylpyruvate, Phenylpyroracemate, 4kif, beta-Phenylpyruvate, phenyl-pyruvic acid, a-oxo-Benzenepropanoic acid; 2-oxo-3-phenylpropanoic acid; Phenylpyroracemic acid; ss-Phenylpyruvic acid, EINECS 205-847-1, a-hydroxycinnamic acid, Phenylbrenztraubensaeure, 3-Phenyl-pyruvic acid, alpha-Ketohydrocinnamate, starbld0007879, Phenylpyruvic acid, 98%, SCHEMBL43235, Phenylpyruvic acid (Standard), ALPHA-KETO-PHENYLALANINE, orb1301955, Benzenepropanoic acid, |A-oxo-, a-Oxobenzenepropanoic acid, 9CI, CHEMBL1162488, FEMA NO. 3892, SCHEMBL28540123, FEMA 3892, HY-W012530R, PHENYLPYRUVIC ACID [WHO-DD], Tox21_301362, BDBM50167651, EBC-47451, s6131, SBB012361, AKOS000161798, 3-PHENYL-2-OXO PROPIONIC ACID, CS-W013246, DB03884, FP11833, HY-W012530, Phenylpyruvic acid, analytical standard, .ALPHA.-OXOBENZENEPROPANOIC ACID, NCGC00255726-01, CAS-156-06-9, ST068813, SY040637, 2-Hydroxy-3-phenyl-2-propenoic acid, 9CI, AC-116009, DB-043302, DB-315591, Phenylpyruvic acid, purum, >=98.0% (T), 2-OXO-3-PHENYLPROPIONIC ACID [FHFI], NS00003384, P0154, EN300-49247, C00166, D91915, 1R-0191, F051001, Q425030, SR-01000580517, SR-01000580517-1, 7D5F143E-52E8-4FBB-87F1-0D4F96B4CA60, Z285151774
Theoretical properties:
molecular_formula: C9H8O3
molecular_weight: 164.16 g/mol
exact_mass: 164.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 154 °C
solubility: 112 mg/mL
Descriptions:
pubchem: Keto-phenylpyruvic acid is a 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway. It has a role as a chromogenic compound, a fundamental metabolite and an EC 6.4.1.1 (pyruvate carboxylase) inhibitor. It is functionally related to a pyruvic acid. It is a conjugate acid of a keto-phenylpyruvate. It is a tautomer of an enol-phenylpyruvic acid.
chebi: A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.
chembl: PHENYLPYRUVATE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Phenylpyruvic acid is the organic compound with the formula C6H5CH2C(O)CO2H.  It is a keto acid.