200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 106073-17-0
106073-17-0 | 3-Quinolinecarbonitrile,1,2,3,4-tetrahydro-2-oxo-
CAS No: 106073-17-0 Catalog No: AG007VXA MDL No:MFCD01685779
Product Description
Catalog Number:
AG007VXA
Chemical Name:
3-Quinolinecarbonitrile,1,2,3,4-tetrahydro-2-oxo-
CAS Number:
106073-17-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD01685779
IUPAC Name:
2-oxo-3,4-dihydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C10H8N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)
InChI Key:
VKKXUYMZWXMMJH-UHFFFAOYSA-N
SMILES:
N#CC1Cc2ccccc2NC1=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
© 2019 Angene International Limited. All rights Reserved.