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50793-85-6 | 4-Cyanophenyl 4-hexylbenzoate
CAS No: 50793-85-6 Catalog No: AG003L9D MDL No:
Product Description
Catalog Number:
AG003L9D
Chemical Name:
4-Cyanophenyl 4-hexylbenzoate
CAS Number:
50793-85-6
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
(4-cyanophenyl) 4-hexylbenzoate
InChI:
InChI=1S/C20H21NO2/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/h7-14H,2-6H2,1H3
InChI Key:
DEUWEGPRKHPNKB-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
EC Number:
256-767-9
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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