C1=CC=C(C=C1)CC(=O)C(=O)O
CAS: 156-06-9
Nom: 2-oxo-3-phenylpropanoic acid
SMILES: C1=CC=C(C=C1)CC(=O)C(=O)O

Molecular Processing

Molecular formula
C9H8O3
Molecular weight
164.16
Exact mass
164.0473
XLogP
0.88
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
42.79

Supplementary Information

InChIKey: BTNMPGBKDVTSJY-UHFFFAOYSA-N
Synonymes
phenylpyruvic acid2-Oxo-3-phenylpropanoic acid156-06-93-Phenylpyruvic acidbeta-Phenylpyruvic acid3-Phenyl-2-oxopropanoic acid2-OXO-3-PHENYLPROPIONIC ACIDketo-phenylpyruvic acidBenzenepropanoic acid, alpha-oxo-alpha-ketohydrocinnamic acidDTXSID10422812-Oxo-3-phenylpropanic acidCHEBI:30851X7CO62M413alpha-oxo-benzenepropanoic acidDTXCID9022281RefChem:861822205-847-1phenylpyruvatePyruvic acid, phenyl-Phenyl pyruvic acidPhenylpyroracemic acid3-phenyl-2-oxopropanoateBenzenepropanoic acid, .alpha.-oxo-MFCD00002589.beta.-Phenylpyruvic acid2-oxo-3-phenyl-propionic acida-Oxobenzenepropanoic Acidb-phenylpyruvic acid2-oxo-3-phenyl-propanoic acid
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Recherche Etendue

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