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13694-12-7 | Pyrido[2,3-d]pyridazine-5-carboxylic acid, 7,8-dihydro-8-oxo-7-phenyl-
CAS No: 13694-12-7 Catalog No: AG0012LB MDL No:
Product Description
Catalog Number:
AG0012LB
Chemical Name:
Pyrido[2,3-d]pyridazine-5-carboxylic acid, 7,8-dihydro-8-oxo-7-phenyl-
CAS Number:
13694-12-7
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
IUPAC Name:
8-oxo-7-phenylpyrido[2,3-d]pyridazine-5-carboxylic acid
InChI:
InChI=1S/C14H9N3O3/c18-13-11-10(7-4-8-15-11)12(14(19)20)16-17(13)9-5-2-1-3-6-9/h1-8H,(H,19,20)
InChI Key:
AWTCJXDKGWAIFS-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c2ccccc2)c(=O)c2c1cccn2
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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