AG004J6R

88038-92-0 | 4-(trans-4-Propylcyclohexyl)phenyl-trans-(4-propylcyclohexyl)cyclohexanecarboxylate

AG004J6R

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CAS Number	88038-92-0
Catalog Number	AG004J6R(AGN-PC-0VIICU)
Chemical Name	4-(trans-4-Propylcyclohexyl)phenyl-trans-(4-propylcyclohexyl)cyclohexanecarboxylate
EC Number	618-105-0
IUPAC Name	[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI	InChI=1S/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h19-27,29H,3-18H2,1-2H3
InChI Key	OJUPRLOTNSQRBL-UHFFFAOYSA-N
MDL Number	MFCD00673705
Molecular Formula	C31H48O2
Molecular Weight	452.7116
SMILES	O=C(C1CCC(C2CCC(CCC)CC2)CC1)OC3=CC=C([C@H]4CC[C@H](CCC)CC4)C=C3
Synonyms	88038-92-0, (Trans,trans)-4'-propyl[1,1'-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl)phenyl ester, 4-(TRANS-4-PROPYLCYCLOHEXYL)PHENYL-TRANS-(4-PROPYLCYCLOHEXYL)CYCLOHEXANECARBOXYLATE, (Trans,trans)-4-propyl[1,1-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl)phenyl ester, SCHEMBL7913972, SCHEMBL7913975, SCHEMBL7913978, SCHEMBL7913982, SCHEMBL8203718, SCHEMBL13433638, DTXSID00557701, MFCD00673705, ZINC34253101, AKOS015917846, AKOS022179393, ZINC252265764, ZINC253497118, ZINC257373378, ZINC329021789, trans,trans-4-(trans-4-Propylcyclohexyl)-phenyl 4'-propylbicyclohexyl-4-carboxylate, AJ-87660, AK-50773, DS-15545, CS-0061431, FT-0687690, 4-(4-n-Propylcyclohexyl)phenyl 4'-n-propylbicyclohexyl-4-carboxylate, 4-(4-Propylcyclohexyl)phenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate, (1alpha,4beta)-4-[(1alpha,4beta)-4-Propylcyclohexyl]cyclohexanecarboxylic acid 4-[(1alpha,4beta)-4-propylcyclohexyl]phenyl ester, (1R,1's,4R,4'R)-4-((1s,4R)-4-Propylcyclohexyl)phenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate, 4- phenyl-trans- cyclohexanecarboxylate, 4-(4-n-Propylcyclohexyl)phenyl 4'-n-propylbicyclohexyl-4-carboxylate, 97% 1g,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	452.365g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	452.723g/mol
Monoisotopic Mass	452.365g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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