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Home > Pyridines > 116776-21-7
116776-21-7 | Pyrido[3,4-d]pyridazin-5(6H)-one, 8-phenyl-
CAS No: 116776-21-7 Catalog No: AG000D79 MDL No:
Product Description
Catalog Number:
AG000D79
Chemical Name:
Pyrido[3,4-d]pyridazin-5(6H)-one, 8-phenyl-
CAS Number:
116776-21-7
Molecular Formula:
C13H9N3O
Molecular Weight:
223.2301
IUPAC Name:
8-phenyl-6H-pyrido[3,4-d]pyridazin-5-one
InChI:
InChI=1S/C13H9N3O/c17-13-12-8-16-15-7-11(12)10(6-14-13)9-4-2-1-3-5-9/h1-8H,(H,14,17)
InChI Key:
XQVAZZRAEIBPCF-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc(c2c1cnnc2)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.235g/mol
Monoisotopic Mass:
223.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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