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88302-00-5 | 3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS No: 88302-00-5 Catalog No: AG0049H8 MDL No:
Product Description
Catalog Number:
AG0049H8
Chemical Name:
3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS Number:
88302-00-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
6-ethyl-2-oxo-5-propanoyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C11H12N2O2/c1-3-9-8(10(14)4-2)5-7(6-12)11(15)13-9/h5H,3-4H2,1-2H3,(H,13,15)
InChI Key:
CCZMLHPMPMJRPT-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C#N)c(=O)[nH]c1CC
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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