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115978-59-1 | [1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-butylcyclohexyl)phenyl ester, (trans,trans)-
CAS No: 115978-59-1 Catalog No: AG000HA1 MDL No:MFCD11053360
Product Description
Catalog Number:
AG000HA1
Chemical Name:
[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, 4-(trans-4-butylcyclohexyl)phenyl ester, (trans,trans)-
CAS Number:
115978-59-1
Molecular Formula:
C32H50O2
Molecular Weight:
466.7382
MDL Number:
MFCD11053360
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
SMILES:
CCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)OC(=O)C1CCC(CC1)C1CCC(CC1)CCC
EC Number:
601-406-6
Properties
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
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