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87666-41-9 | 2-Propenoic acid, 3-cyclohexyl-3-phenyl-, ethyl ester, (2Z)-
CAS No: 87666-41-9 Catalog No: AG004H6H MDL No:
Product Description
Catalog Number:
AG004H6H
Chemical Name:
2-Propenoic acid, 3-cyclohexyl-3-phenyl-, ethyl ester, (2Z)-
CAS Number:
87666-41-9
Molecular Formula:
C17H22O2
Molecular Weight:
258.3554
IUPAC Name:
ethyl 3-cyclohexyl-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H22O2/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,2,4,7-8,11-12H2,1H3
InChI Key:
JQBPPARSJICPJM-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\c1ccccc1)/C1CCCCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.361g/mol
Monoisotopic Mass:
258.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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