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143992-19-2 | Benzoic acid, 4-(2-propen-1-yloxy)-, 4-(4-pentylcyclohexyl)phenyl ester
CAS No: 143992-19-2 Catalog No: AG001IPY MDL No:
Product Description
Catalog Number:
AG001IPY
Chemical Name:
Benzoic acid, 4-(2-propen-1-yloxy)-, 4-(4-pentylcyclohexyl)phenyl ester
CAS Number:
143992-19-2
Molecular Formula:
C27H34O3
Molecular Weight:
406.5571
IUPAC Name:
[4-(4-pentylcyclohexyl)phenyl] 4-prop-2-enoxybenzoate
InChI:
InChI=1S/C27H34O3/c1-3-5-6-7-21-8-10-22(11-9-21)23-12-18-26(19-13-23)30-27(28)24-14-16-25(17-15-24)29-20-4-2/h4,12-19,21-22H,2-3,5-11,20H2,1H3
InChI Key:
KYAYEXJTRXPWIY-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)c1ccc(cc1)OC(=O)c1ccc(cc1)OCC=C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.251g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.566g/mol
Monoisotopic Mass:
406.251g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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