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189027-29-0 | Benzoic acid, 4-(5-hexen-1-yl)-, 4-cyanophenyl ester
CAS No: 189027-29-0 Catalog No: AG002HPO MDL No:
Product Description
Catalog Number:
AG002HPO
Chemical Name:
Benzoic acid, 4-(5-hexen-1-yl)-, 4-cyanophenyl ester
CAS Number:
189027-29-0
Molecular Formula:
C20H19NO2
Molecular Weight:
305.3704
IUPAC Name:
(4-cyanophenyl) 4-hex-5-enylbenzoate
InChI:
InChI=1S/C20H19NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h2,7-14H,1,3-6H2
InChI Key:
LPVGXWGQUXYZEV-UHFFFAOYSA-N
SMILES:
C=CCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.377g/mol
Monoisotopic Mass:
305.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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