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Home > Pyridines > 125968-89-0
125968-89-0 | Pyrido[3,4-d]pyridazin-5(6H)-one
CAS No: 125968-89-0 Catalog No: AG000QM3 MDL No:
Product Description
Catalog Number:
AG000QM3
Chemical Name:
Pyrido[3,4-d]pyridazin-5(6H)-one
CAS Number:
125968-89-0
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
IUPAC Name:
6H-pyrido[3,4-d]pyridazin-5-one
InChI:
InChI=1S/C7H5N3O/c11-7-6-4-10-9-3-5(6)1-2-8-7/h1-4H,(H,8,11)
InChI Key:
NKKMYEQJRLBGGL-UHFFFAOYSA-N
SMILES:
O=c1[nH]ccc2c1cnnc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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