200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87954-02-7
87954-02-7 | Pyrimido[4,5-c]cinnolin-1(2H)-one
CAS No: 87954-02-7 Catalog No: AG004GA7 MDL No:
Product Description
Catalog Number:
AG004GA7
Chemical Name:
Pyrimido[4,5-c]cinnolin-1(2H)-one
CAS Number:
87954-02-7
Molecular Formula:
C10H6N4O
Molecular Weight:
198.1808
IUPAC Name:
2H-pyrimido[4,5-c]cinnolin-1-one
InChI:
InChI=1S/C10H6N4O/c15-10-8-6-3-1-2-4-7(6)13-14-9(8)11-5-12-10/h1-5H,(H,11,12,14,15)
InChI Key:
FNPONNZOTXPNPU-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1c1ccccc1nn2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.185g/mol
Monoisotopic Mass:
198.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.