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Home > Pyridines > 139262-29-6
139262-29-6 | 3(2H)-Pyridazinone, 4-hydroxy-6-(4-methylphenyl)-
CAS No: 139262-29-6 Catalog No: AG001ALH MDL No:
Product Description
Catalog Number:
AG001ALH
Chemical Name:
3(2H)-Pyridazinone, 4-hydroxy-6-(4-methylphenyl)-
CAS Number:
139262-29-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
6-(4-methylphenyl)-1,2-dihydropyridazine-3,4-dione
InChI:
InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(14)11(15)13-12-9/h2-6H,1H3,(H,12,14)(H,13,15)
InChI Key:
HAJZXCKVNFFSNI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1n[nH]c(=O)c(c1)O
NSC Number:
687705
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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