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90311-54-9

90311-54-9 | Cyclohexanecarboxylic acid, 4-hexyl-, 4-ethoxyphenyl ester, trans-

CAS No: 90311-54-9 Catalog No: AG006FWL MDL No:

Product Description

Catalog Number:
AG006FWL
Chemical Name:
Cyclohexanecarboxylic acid, 4-hexyl-, 4-ethoxyphenyl ester, trans-
CAS Number:
90311-54-9
Molecular Formula:
C21H32O3
Molecular Weight:
332.4770
IUPAC Name:
(4-ethoxyphenyl) 4-hexylcyclohexane-1-carboxylate
InChI:
InChI=1S/C21H32O3/c1-3-5-6-7-8-17-9-11-18(12-10-17)21(22)24-20-15-13-19(14-16-20)23-4-2/h13-18H,3-12H2,1-2H3
InChI Key:
WEFKCJFGOARXCB-UHFFFAOYSA-N
SMILES:
CCCCCC[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(cc1)OCC

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.235g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.484g/mol
Monoisotopic Mass:
332.235g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  

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