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1131-84-6 | N-(2-Cyanoethyl)-4-pyridinecarboxamide
CAS No: 1131-84-6 Catalog No: AG01FCIV MDL No:
Product Description
Catalog Number:
AG01FCIV
Chemical Name:
N-(2-Cyanoethyl)-4-pyridinecarboxamide
CAS Number:
1131-84-6
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
N-(2-cyanoethyl)pyridine-4-carboxamide
InChI:
InChI=1S/C9H9N3O/c10-4-1-5-12-9(13)8-2-6-11-7-3-8/h2-3,6-7H,1,5H2,(H,12,13)
InChI Key:
WVLYPLNCVSVOQL-UHFFFAOYSA-N
SMILES:
N#CCCNC(=O)c1ccncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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