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122230-65-3 | Benzoic acid, 4-(4-ethylcyclohexyl)-, 4-heptylphenyl ester, trans- (9CI)
CAS No: 122230-65-3 Catalog No: AG0016ZJ MDL No:
Product Description
Catalog Number:
AG0016ZJ
Chemical Name:
Benzoic acid, 4-(4-ethylcyclohexyl)-, 4-heptylphenyl ester, trans- (9CI)
CAS Number:
122230-65-3
Molecular Formula:
C28H38O2
Molecular Weight:
406.6001
IUPAC Name:
(4-heptylphenyl) 4-(4-ethylcyclohexyl)benzoate
InChI:
InChI=1S/C28H38O2/c1-3-5-6-7-8-9-23-12-20-27(21-13-23)30-28(29)26-18-16-25(17-19-26)24-14-10-22(4-2)11-15-24/h12-13,16-22,24H,3-11,14-15H2,1-2H3
InChI Key:
WUMMLPFEUVQAKS-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)OC(=O)c1ccc(cc1)[C@@H]1CC[C@H](CC1)CC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.287g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.61g/mol
Monoisotopic Mass:
406.287g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2
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