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122607-15-2 | 2H-1-Benzopyran-3-carboxylic acid, 7-(dimethylamino)-2-oxo-
CAS No: 122607-15-2 Catalog No: AG0017JR MDL No:
Product Description
Catalog Number:
AG0017JR
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-(dimethylamino)-2-oxo-
CAS Number:
122607-15-2
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
7-(dimethylamino)-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C12H11NO4/c1-13(2)8-4-3-7-5-9(11(14)15)12(16)17-10(7)6-8/h3-6H,1-2H3,(H,14,15)
InChI Key:
UDMURVSWYOLZAU-UHFFFAOYSA-N
SMILES:
CN(c1ccc2c(c1)oc(=O)c(c2)C(=O)O)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells. | Bioorganic & medicinal chemistry 20131115 |
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