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188707-41-7 | 2-Propenoic acid, 3-(4-hexylphenyl)-, trans-4-phenylcyclohexyl ester
CAS No: 188707-41-7 Catalog No: AG002H6L MDL No:
Product Description
Catalog Number:
AG002H6L
Chemical Name:
2-Propenoic acid, 3-(4-hexylphenyl)-, trans-4-phenylcyclohexyl ester
CAS Number:
188707-41-7
Molecular Formula:
C27H34O2
Molecular Weight:
390.5577
IUPAC Name:
(4-phenylcyclohexyl) 3-(4-hexylphenyl)prop-2-enoate
InChI:
InChI=1S/C27H34O2/c1-2-3-4-6-9-22-12-14-23(15-13-22)16-21-27(28)29-26-19-17-25(18-20-26)24-10-7-5-8-11-24/h5,7-8,10-16,21,25-26H,2-4,6,9,17-20H2,1H3
InChI Key:
DHADNHGPWGOHBZ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C=CC(=O)O[C@@H]1CC[C@H](CC1)c1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.256g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.567g/mol
Monoisotopic Mass:
390.256g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.2
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