(3S)-3-phenylbutanoic acid

(3S)-3-phenylbutanoic acid

CAS: 772-15-6

Formula: C10H12O2

SMILES: C[C@@H](CC(O)=O)C1=CC=CC=C1

IUPAC: (3S)-3-phenylbutanoic acid

InChI: InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)/t8-/m0/s1

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 164.204

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	164.083729626
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZZEWMYILWXCRHZ-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.52
Topological Polar Surface Area	37.3
Polarizability	18.2
Ring Count	1
Rotatable Bond Count	3

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