200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1514422-87-7
1514422-87-7 | 4,4-dimethyl-3-oxo-2-(pyridin-4-yl)pentanenitrile
CAS No: 1514422-87-7 Catalog No: AG01BKEQ MDL No:MFCD23924614
Product Description
Catalog Number:
AG01BKEQ
Chemical Name:
4,4-dimethyl-3-oxo-2-(pyridin-4-yl)pentanenitrile
CAS Number:
1514422-87-7
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD23924614
IUPAC Name:
4,4-dimethyl-3-oxo-2-pyridin-4-ylpentanenitrile
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)11(15)10(8-13)9-4-6-14-7-5-9/h4-7,10H,1-3H3
InChI Key:
PTGXVZNDPCLSRZ-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)C(C)(C)C)c1ccncc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.