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121582-69-2 | 3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-
CAS No: 121582-69-2 Catalog No: AG0015BP MDL No:MFCD10008589
Product Description
Catalog Number:
AG0015BP
Chemical Name:
3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-
CAS Number:
121582-69-2
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
MDL Number:
MFCD10008589
IUPAC Name:
4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylic acid
InChI:
InChI=1S/C12H10N2O5/c1-19-8-4-2-7(3-5-8)14-10(16)6-9(15)11(13-14)12(17)18/h2-6,15H,1H3,(H,17,18)
InChI Key:
RGGXCWNKAQOUMX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc(C(=O)O)c(cc1=O)O
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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