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Home > Pyridines > 116749-17-8
116749-17-8 | Methanimidic acid, N-(3-cyano-2-pyridinyl)-, methyl ester
CAS No: 116749-17-8 Catalog No: AG000D5Z MDL No:
Product Description
Catalog Number:
AG000D5Z
Chemical Name:
Methanimidic acid, N-(3-cyano-2-pyridinyl)-, methyl ester
CAS Number:
116749-17-8
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
methyl N-(3-cyanopyridin-2-yl)methanimidate
InChI:
InChI=1S/C8H7N3O/c1-12-6-11-8-7(5-9)3-2-4-10-8/h2-4,6H,1H3
InChI Key:
CEOUQCPWWFNXBA-UHFFFAOYSA-N
SMILES:
COC=Nc1ncccc1C#N
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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