2-benzoylcyclohexane-1-carboxylic acid

2-benzoylcyclohexane-1-carboxylic acid

CAS: 6939-99-7

Formula: C14H16O3

SMILES: OC(=O)C1CCCCC1C(=O)C1=CC=CC=C1

IUPAC: 2-benzoylcyclohexane-1-carboxylic acid

InChI: InChI=1/C14H16O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)

Composition: C (72.39%), H (6.94%), O (20.66%)

Molar Mass: 232.279

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	232.109944375
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FLPQLUGZLPSVOG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.9
Topological Polar Surface Area	54.37
Polarizability	24.9
Ring Count	2
Rotatable Bond Count	3

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