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40511-70-4 | Pyrido[3,4-d]pyridazin-4(3H)-one
CAS No: 40511-70-4 Catalog No: AG00I7XZ MDL No:MFCD09863968
Product Description
Catalog Number:
AG00I7XZ
Chemical Name:
Pyrido[3,4-d]pyridazin-4(3H)-one
CAS Number:
40511-70-4
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD09863968
IUPAC Name:
3H-pyrido[3,4-d]pyridazin-4-one
InChI:
InChI=1S/C7H5N3O/c11-7-6-4-8-2-1-5(6)3-9-10-7/h1-4H,(H,10,11)
InChI Key:
KKQTYJJTLHAINM-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncc2c1cncc2
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:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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