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5782-69-4 | 3-Pyridinecarbonitrile,1,2-dihydro-6-(1-methylethyl)-2-oxo-(9CI)
CAS No: 5782-69-4 Catalog No: AG00EDUE MDL No:MFCD14581657
Product Description
Catalog Number:
AG00EDUE
Chemical Name:
3-Pyridinecarbonitrile,1,2-dihydro-6-(1-methylethyl)-2-oxo-(9CI)
CAS Number:
5782-69-4
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD14581657
IUPAC Name:
2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O/c1-6(2)8-4-3-7(5-10)9(12)11-8/h3-4,6H,1-2H3,(H,11,12)
InChI Key:
XQEKXIYVPKTHAB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]c1=O)C(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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