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81450-61-5 | 6-[(HYDROXYIMINO)METHYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
CAS No: 81450-61-5 Catalog No: AG005KJV MDL No:MFCD09702193
Product Description
Catalog Number:
AG005KJV
Chemical Name:
6-[(HYDROXYIMINO)METHYL]-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
CAS Number:
81450-61-5
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD09702193
IUPAC Name:
6-[(E)-hydroxyiminomethyl]-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5N3O2/c8-3-5-1-2-6(4-9-12)10-7(5)11/h1-2,4,12H,(H,10,11)/b9-4+
InChI Key:
SFVUUPUJNRMWJC-RUDMXATFSA-N
SMILES:
ON=Cc1ccc(c(=O)[nH]1)C#N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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