Name: sodium 2-oxo-3-phenylpropanoate
SMILES:
C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]Molecular Processing
Molecular formula
C9H7NaO3
Molecular weight
186.14
Exact mass
186.0293
XLogP
-3.45
TPSA
57.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.111
Molar refractivity
40.16
Supplementary Information
InChIKey: MQGYVGKMCRDEAF-UHFFFAOYSA-M
Synonyms
Sodium phenylpyruvatePhenylpyruvic acid sodium saltsodium 2-oxo-3-phenylpropanoate7528CW33WWMFCD000025902-Oxo-3-phenylpropanoic acid, sodium saltNSC-1470UNII-7528CW33WWEINECS 204-053-2Phenylpyruvic acid (sodium)Benzenepropanoic acid, .alpha.-oxo-, sodium saltSCHEMBL468354Phenyylpyruvic acid sodium saltorb1302474sodium;2-oxo-3-phenylpropanoateSodium 2-Oxo-3-phenylpropionatesodium;2-oxo-3-phenyl-propanoateDTXSID001019012NSC 1470SODIUM .BETA.-PHENYLPYRUVATEGEO-04264AKOS022185852CS-W016919FP52447SODIUM 3-PHENYL-2-OXOPROPIONATEPHENYLPYRORACEMIC ACID SODIUM SALT2-Oxo-3-phenylpropionic Acid Sodium SaltAS-67709DB-030362PYRUVIC ACID, PHENYL-, SODIUM SALT
Involved in 7 reactions→