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55901-95-6 | 6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
CAS No: 55901-95-6 Catalog No: AG00JD6L MDL No:MFCD12439016
Product Description
Catalog Number:
AG00JD6L
Chemical Name:
6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
CAS Number:
55901-95-6
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD12439016
IUPAC Name:
3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C12H12N2O3/c1-16-10-5-3-8(7-11(10)17-2)9-4-6-12(15)14-13-9/h3-7H,1-2H3,(H,14,15)
InChI Key:
ZHNHPPJSMFUHRS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1ccc(=O)[nH]n1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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