3-cyclohexaneamido-2-methylbenzoic acid

3-cyclohexaneamido-2-methylbenzoic acid

CAS: 878738-34-2

Formula: C15H19NO3

SMILES: CC1=C(NC(=O)C2CCCCC2)C=CC=C1C(O)=O

IUPAC: 3-cyclohexaneamido-2-methylbenzoic acid

InChI: InChI=1S/C15H19NO3/c1-10-12(15(18)19)8-5-9-13(10)16-14(17)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3,(H,16,17)(H,18,19)

Composition: C (68.94%), H (7.33%), N (5.36%), O (18.37%)

Molar Mass: 261.321

Atom Count: 38

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.136493476
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NWNNLWGNEQLXNG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.42
Topological Polar Surface Area	66.4
Polarizability	27.78
Ring Count	2
Rotatable Bond Count	3

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