(+)-cis-2-Benzamidocyclohexanecarboxylic acid

Chemical Properties

Melting point	205-209 °C(lit.)
Boiling point	506.1±43.0 °C(Predicted)
Density	1.21±0.1 g/cm3(Predicted)
refractive index	36.5 ° (C=0.5, EtOH)
storage temp.	2-8°C
form	solid
pka	4.58±0.44(Predicted)
optical activity	[α]20/D +34°, c = 1% in chloroform
BRN	4946668
InChI	1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1
InChIKey	PUANNVQABXUYKU-NWDGAFQWSA-N
SMILES	OC(=O)[C@H]1CCCC[C@H]1NC(=O)c2ccccc2
CAS DataBase Reference	26685-82-5(CAS DataBase Reference)