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136920-49-5 | Ethanone, 1-(4-hydroxy-3-cinnolinyl)-
CAS No: 136920-49-5 Catalog No: AG0012KI MDL No:
Product Description
Catalog Number:
AG0012KI
Chemical Name:
Ethanone, 1-(4-hydroxy-3-cinnolinyl)-
CAS Number:
136920-49-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
3-acetyl-1H-cinnolin-4-one
InChI:
InChI=1S/C10H8N2O2/c1-6(13)9-10(14)7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,11,14)
InChI Key:
RZXNQPGHGIDBQX-UHFFFAOYSA-N
SMILES:
CC(=O)c1nnc2c(c1O)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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