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219618-13-0 | 2-cyano-N-(pyridin-3-yl)acetamide
CAS No: 219618-13-0 Catalog No: AG00ISJT MDL No:MFCD00127642
Product Description
Catalog Number:
AG00ISJT
Chemical Name:
2-cyano-N-(pyridin-3-yl)acetamide
CAS Number:
219618-13-0
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD00127642
IUPAC Name:
2-cyano-N-pyridin-3-ylacetamide
InChI:
InChI=1S/C8H7N3O/c9-4-3-8(12)11-7-2-1-5-10-6-7/h1-2,5-6H,3H2,(H,11,12)
InChI Key:
QLZYGZVAUQLYOD-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1cccnc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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