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16232-40-9 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-Methyl-2-oxo-4-propyl-
CAS No: 16232-40-9 Catalog No: AG001SZU MDL No:MFCD24387405
Product Description
Catalog Number:
AG001SZU
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-Methyl-2-oxo-4-propyl-
CAS Number:
16232-40-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD24387405
IUPAC Name:
6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H12N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h5H,3-4H2,1-2H3,(H,12,13)
InChI Key:
XXEAVIQHEGQVSD-UHFFFAOYSA-N
SMILES:
CCCc1cc(C)[nH]c(=O)c1C#N
Properties
Complexity:
341
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:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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