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125256-17-9 | BENZAMIDE, N-(2-CYANOETHENYL)-
CAS No: 125256-17-9 Catalog No: AG000NDY MDL No:
Product Description
Catalog Number:
AG000NDY
Chemical Name:
BENZAMIDE, N-(2-CYANOETHENYL)-
CAS Number:
125256-17-9
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
IUPAC Name:
N-(2-cyanoethenyl)benzamide
InChI:
InChI=1S/C10H8N2O/c11-7-4-8-12-10(13)9-5-2-1-3-6-9/h1-6,8H,(H,12,13)
InChI Key:
AVRDANDATMRZLY-UHFFFAOYSA-N
SMILES:
N#CC=CNC(=O)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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