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88976-66-3 | 3,6-Pyridazinedione, 1,2-dihydro-1-[(phenylmethylene)amino]-
CAS No: 88976-66-3 Catalog No: AG0045QL MDL No:
Product Description
Catalog Number:
AG0045QL
Chemical Name:
3,6-Pyridazinedione, 1,2-dihydro-1-[(phenylmethylene)amino]-
CAS Number:
88976-66-3
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
IUPAC Name:
2-(benzylideneamino)-1H-pyridazine-3,6-dione
InChI:
InChI=1S/C11H9N3O2/c15-10-6-7-11(16)14(13-10)12-8-9-4-2-1-3-5-9/h1-8H,(H,13,15)
InChI Key:
IVRIPVUOQZNFRI-UHFFFAOYSA-N
SMILES:
O=c1ccc(=O)n([nH]1)N=Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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