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298682-21-0 | 2-(3-Methyl-4-oxo-3
CAS No: 298682-21-0 Catalog No: AG01FO4Y MDL No:
Product Description
Catalog Number:
AG01FO4Y
Chemical Name:
2-(3-Methyl-4-oxo-3
CAS Number:
298682-21-0
IUPAC Name:
2-(3-methyl-4-oxophthalazin-1-yl)propanoic acid
InChI:
InChI=1S/C12H12N2O3/c1-7(12(16)17)10-8-5-3-4-6-9(8)11(15)14(2)13-10/h3-7H,1-2H3,(H,16,17)
InChI Key:
LJHCOVCVTPGZNT-UHFFFAOYSA-N
Properties
Complexity:
378
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:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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