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133300-43-3 | 2-Pyridinecarboximidic acid, N-cyano-, methyl ester
CAS No: 133300-43-3 Catalog No: AG0014KS MDL No:
Product Description
Catalog Number:
AG0014KS
Chemical Name:
2-Pyridinecarboximidic acid, N-cyano-, methyl ester
CAS Number:
133300-43-3
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
IUPAC Name:
methyl N-cyanopyridine-2-carboximidate
InChI:
InChI=1S/C8H7N3O/c1-12-8(11-6-9)7-4-2-3-5-10-7/h2-5H,1H3
InChI Key:
VFDQQTGGKIERJX-UHFFFAOYSA-N
SMILES:
N#CN=C(c1ccccn1)OC
Properties
Complexity:
216
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:
0
XLogP3:
0.7
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