2-hydroxy-4-phenylbutanoic acid

2-hydroxy-4-phenylbutanoic acid

CAS: 4263-93-8

Formula: C10H12O3

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

IUPAC: 2-hydroxy-4-phenylbutanoic acid

InChI: InChI=1/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)

Composition: C (66.65%), H (6.71%), O (26.63%)

Molar Mass: 180.203

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	180.078644246
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JNJCEALGCZSIGB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.06
Topological Polar Surface Area	57.53
Polarizability	18.83
Ring Count	1
Rotatable Bond Count	4

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