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39716-50-2 | 5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-ol
CAS No: 39716-50-2 Catalog No: AG018S8F MDL No:MFCD08443823
Product Description
Catalog Number:
AG018S8F
Chemical Name:
5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-ol
CAS Number:
39716-50-2
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD08443823
IUPAC Name:
5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
InChI:
InChI=1S/C7H9N3O/c11-7-3-5-4-8-2-1-6(5)9-10-7/h3,8H,1-2,4H2,(H,10,11)
InChI Key:
IIIDPTXDTHOYRK-UHFFFAOYSA-N
SMILES:
Oc1cc2CNCCc2nn1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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