trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic acid - CAS 65355-32-0

Name: trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic acid
Brand: BOC Sciences
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Catalog:	BB053708
Product Name:	trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic acid
CAS:	65355-32-0
Synonyms:	(TRANS,TRANS)-4'-PROPYL-[1,1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID; 4'-PROPYL-BICYCLOHEXYL-4-CARBOXYLIC ACID; Trans-4-n-propyl cyclohexyl-cyclohexane-4"-carboxylic acid; Trans-4-Propyl-(1,1-Bicyclohexyl)-4-CarboxylicAcid,3HhaC16H28O2; 4-trans-(4-trans-Propylcyclo

Technical Data

IUPAC Name:	4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid
Molecular Weight:	252.39
Molecular Formula:	C16H28O2
Canonical SMILES:	CCCC1CCC(CC1)C2CCC(CC2)C(=O)O
InChI:	InChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12-,13-,14-,15-
InChI Key:	JXPGQFKJNKWDKP-KTSLABGISA-N
Boiling Point:	370.9±10.0 °C at 760 mmHg
Purity:	97%
Density:	1.0±0.1 g/cm3
Appearance:	White Solid

GHS Hazard Statement:	H400 (66.67%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.208930132
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.208930132
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.7