AG000HA1

115978-59-1 | [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-butylcyclohexyl)phenyl ester, (trans,trans)-

AG000HA1

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CAS Number	115978-59-1
Catalog Number	AG000HA1(AGN-PC-0P8EBX)
Chemical Name	[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-butylcyclohexyl)phenyl ester, (trans,trans)-
EC Number	601-406-6
IUPAC Name	[4-(4-butylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI	InChI=1S/C32H50O2/c1-3-5-7-25-10-14-27(15-11-25)29-20-22-31(23-21-29)34-32(33)30-18-16-28(17-19-30)26-12-8-24(6-4-2)9-13-26/h20-28,30H,3-19H2,1-2H3
InChI Key	LCOGJPXBBIRCAF-UHFFFAOYSA-N
MDL Number	MFCD11053360
Molecular Formula	C32H50O2
Molecular Weight	466.7382
SMILES	O=C(C1CCC(C2CCC(CCC)CC2)CC1)OC3=CC=C([C@H]4CC[C@H](CCCC)CC4)C=C3
Synonyms	115978-59-1, 4-(trans,trans-4-Butylcyclohexyl)phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate, trans,trans-4-(trans-4-Butylcyclohexyl)-phenyl 4'-propylbicyclohexyl-4-carboxylate, SCHEMBL8211368, SCHEMBL9964622, SCHEMBL13433640, DTXSID60557702, MFCD11053360, AKOS022179368, ZINC252243804, ZINC261300769, AJ-87661, AK-50659, AS-30358, DS-15501, CS-0059655, FT-0688766, 4-(4-Butylcyclohexyl)phenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate, TRANS,TRANS-4-(TRANS-4-BUTYLCYCLOHEXYL)-PHENYL 4''-PROPYLBICYCLOHEXYL-4-CARBOXYLATE, (1alpha,4beta)-4-[(1alpha,4beta)-4-Propylcyclohexyl]cyclohexanecarboxylic acid 4-[(1alpha,4beta)-4-butylcyclohexyl]phenyl ester, (1R,4r)-4-((1s,4R)-4-Butylcyclohexyl)phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate, [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-butylcyclohexyl)phenyl ester, (trans,trans)-, trans,trans-4'-Propyl-bicyclohexyl-4-carboxylic acid 4-(trans-4-butyl-cyclohexyl)-phenyl ester, LCOGJPXBBIRCAF-UHFFFAOYSA-N,

Complexity	568
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	466.381g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	466.75g/mol
Monoisotopic Mass	466.381g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	12

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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