2-oxo-4-phenylbutanoic acid

2-oxo-4-phenylbutanoic acid

CAS: 710-11-2

Formula: C10H10O3

SMILES: OC(=O)C(=O)CCC1=CC=CC=C1

IUPAC: 2-oxo-4-phenylbutanoic acid

InChI: InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.062994182
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PPKAIMDMNWBOKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.31
Topological Polar Surface Area	54.37
Polarizability	18.29
Ring Count	1
Rotatable Bond Count	4

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