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88038-92-0 | (Trans,trans);-4'-propyl[1,1'-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl);phenyl ester
CAS No: 88038-92-0 Catalog No: AG004J6R MDL No:MFCD00673705
Product Description
Catalog Number:
AG004J6R
Chemical Name:
(Trans,trans);-4'-propyl[1,1'-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl);phenyl ester
CAS Number:
88038-92-0
Molecular Formula:
C31H48O2
Molecular Weight:
452.7116
MDL Number:
MFCD00673705
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
SMILES:
CCCC1CCC(CC1)C1CCC(CC1)C(=O)Oc1ccc(cc1)[C@@H]1CC[C@H](CC1)CCC
EC Number:
618-105-0
Properties
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
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