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Home > Pyridines > 113123-41-4
113123-41-4 | 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-6-(1-methylethyl)-2-oxo-
CAS No: 113123-41-4 Catalog No: AG00HCH9 MDL No:MFCD22689330
Product Description
Catalog Number:
AG00HCH9
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-6-(1-methylethyl)-2-oxo-
CAS Number:
113123-41-4
MDL Number:
MFCD22689330
IUPAC Name:
4-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H12N2O/c1-6(2)9-4-7(3)8(5-11)10(13)12-9/h4,6H,1-3H3,(H,12,13)
InChI Key:
XGMBLZDBCNWGCV-UHFFFAOYSA-N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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