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88486-17-3 | Benzoic acid, 4-[(cyanophenylmethylene)amino]-, pentyl ester
CAS No: 88486-17-3 Catalog No: AG004A0K MDL No:
Product Description
Catalog Number:
AG004A0K
Chemical Name:
Benzoic acid, 4-[(cyanophenylmethylene)amino]-, pentyl ester
CAS Number:
88486-17-3
Molecular Formula:
C20H20N2O2
Molecular Weight:
320.3850
IUPAC Name:
pentyl 4-[[cyano(phenyl)methylidene]amino]benzoate
InChI:
InChI=1S/C20H20N2O2/c1-2-3-7-14-24-20(23)17-10-12-18(13-11-17)22-19(15-21)16-8-5-4-6-9-16/h4-6,8-13H,2-3,7,14H2,1H3
InChI Key:
JKKGAWPRNIVXPK-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)c1ccc(cc1)N=C(c1ccccc1)C#N
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.392g/mol
Monoisotopic Mass:
320.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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