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162210-24-4 | 4H-1-Benzopyran-2-carboxylic acid, 6,7-dimethyl-4-oxo-
CAS No: 162210-24-4 Catalog No: AG001SVG MDL No:MFCD06651269
Product Description
Catalog Number:
AG001SVG
Chemical Name:
4H-1-Benzopyran-2-carboxylic acid, 6,7-dimethyl-4-oxo-
CAS Number:
162210-24-4
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD06651269
IUPAC Name:
6,7-dimethyl-4-oxochromene-2-carboxylic acid
InChI:
InChI=1S/C12H10O4/c1-6-3-8-9(13)5-11(12(14)15)16-10(8)4-7(6)2/h3-5H,1-2H3,(H,14,15)
InChI Key:
RTXTZTPZRBJVAN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)c2c(o1)cc(c(c2)C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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