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121582-61-4 | 3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-, methyl ester
CAS No: 121582-61-4 Catalog No: AG0015BS MDL No:MFCD00141150
Product Description
Catalog Number:
AG0015BS
Chemical Name:
3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-1-(4-methoxyphenyl)-6-oxo-, methyl ester
CAS Number:
121582-61-4
Molecular Formula:
C13H12N2O5
Molecular Weight:
276.2448
MDL Number:
MFCD00141150
IUPAC Name:
methyl 4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carboxylate
InChI:
InChI=1S/C13H12N2O5/c1-19-9-5-3-8(4-6-9)15-11(17)7-10(16)12(14-15)13(18)20-2/h3-7,16H,1-2H3
InChI Key:
IDXWGPJZRWLHPP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc(C(=O)OC)c(cc1=O)O
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.075g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.248g/mol
Monoisotopic Mass:
276.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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