Home Carboxys 1-(1H-1,3-benzodiazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

1-(1H-1,3-benzodiazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS No.:
726154-70-7
Catalog Number:
AG00ICAF
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
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Product Description
Catalog Number:
AG00ICAF
Chemical Name:
1-(1H-1,3-benzodiazol-2-yl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
CAS Number:
726154-70-7
Molecular Formula:
C12H10N4O3
Molecular Weight:
258.2328
MDL Number:
MFCD03964641
IUPAC Name:
1-(1H-benzimidazol-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
InChI:
InChI=1S/C12H10N4O3/c17-10-6-5-9(11(18)19)15-16(10)12-13-7-3-1-2-4-8(7)14-12/h1-4H,5-6H2,(H,13,14)(H,18,19)
InChI Key:
DUGCHUBWLUWFQS-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NN(C(=O)CC1)c1nc2c([nH]1)cccc2
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.075g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
258.237g/mol
Monoisotopic Mass:
258.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties