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89356-02-5 | Cyclohexanecarboxylic acid, 4-butyl-, 4-propylphenyl ester, trans-
CAS No: 89356-02-5 Catalog No: AG003Z7Z MDL No:
Product Description
Catalog Number:
AG003Z7Z
Chemical Name:
Cyclohexanecarboxylic acid, 4-butyl-, 4-propylphenyl ester, trans-
CAS Number:
89356-02-5
Molecular Formula:
C20H30O2
Molecular Weight:
302.4510
IUPAC Name:
(4-propylphenyl) 4-butylcyclohexane-1-carboxylate
InChI:
InChI=1S/C20H30O2/c1-3-5-7-17-8-12-18(13-9-17)20(21)22-19-14-10-16(6-4-2)11-15-19/h10-11,14-15,17-18H,3-9,12-13H2,1-2H3
InChI Key:
ZMYWQRQTUKPLRA-UHFFFAOYSA-N
SMILES:
CCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)CCC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.458g/mol
Monoisotopic Mass:
302.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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