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Home Carboxys 3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid

3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid

CAS No.:
16015-47-7
Catalog Number:
AG007VYQ
Molecular Formula:
C10H7N2O3-
Molecular Weight:
203.1742
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
10g
95%
In Stock USA
United States
$705
- +
Product Description
Catalog Number:
AG007VYQ
Chemical Name:
3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
CAS Number:
16015-47-7
Molecular Formula:
C10H7N2O3-
Molecular Weight:
203.1742
MDL Number:
MFCD02712615
IUPAC Name:
3-methyl-4-oxophthalazine-1-carboxylic acid
InChI:
InChI=1S/C10H8N2O3/c1-12-9(13)7-5-3-2-4-6(7)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)
InChI Key:
ZUEDIBGIVDXMLP-UHFFFAOYSA-N
SMILES:
[O-]C(=O)c1nn(C)c(=O)c2c1cccc2
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties