200,000+ products from a single source!
sales@angenechem.com
88302-04-9 | 3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-(1-oxopropyl)-
CAS No: 88302-04-9 Catalog No: AG0048QJ MDL No:
Product Description
Catalog Number:
AG0048QJ
Chemical Name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-5-(1-oxopropyl)-
CAS Number:
88302-04-9
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
6-methyl-2-oxo-5-propanoyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C10H10N2O2/c1-3-9(13)8-4-7(5-11)10(14)12-6(8)2/h4H,3H2,1-2H3,(H,12,14)
InChI Key:
KUYKGMRKPCKXAP-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C#N)c(=O)[nH]c1C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
© 2019 Angene International Limited. All rights Reserved.