1-phenylcyclohexane-1-carboxylic acid

1-phenylcyclohexane-1-carboxylic acid

CAS: 1135-67-7

Formula: C13H16O2

SMILES: OC(=O)C1(CCCCC1)C1=CC=CC=C1

IUPAC: 1-phenylcyclohexane-1-carboxylic acid

InChI: InChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)

Composition: C (76.44%), H (7.90%), O (15.66%)

Molar Mass: 204.269

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.115029755
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QXXHHHWXFHPNOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.44
Topological Polar Surface Area	37.3
Polarizability	23
Ring Count	2
Rotatable Bond Count	2

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