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1017-06-7 | 3(2H)-Pyridazinone, 4,5-dihydro-6-(4-methoxyphenyl)-
CAS No: 1017-06-7 Catalog No: AG00059C MDL No:MFCD01046890
Product Description
Catalog Number:
AG00059C
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-(4-methoxyphenyl)-
CAS Number:
1017-06-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD01046890
IUPAC Name:
3-(4-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H12N2O2/c1-15-9-4-2-8(3-5-9)10-6-7-11(14)13-12-10/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
DOTABPGEJRYYTM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NNC(=O)CC1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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