6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-
8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid
Also Known As: 1,9-Isothiazoleanthrone-2-carboxylic acid|6-Oxo-6H-anthra(9,1-cd)isothiazole-3-carboxylic acid|6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo-|4-27-00-04342 (Beilstein Handbook Reference)|6-oxo-6h-anthra[9,1-cd][1,2]thiazole-3-carboxylic acid|6-Oxo-6H-anthra[9,1-cd]isothiazole-3-carboxylicacid|6-Oxo-6H-anthra[9,1-cd]isothiazole-3-carboxylic acid|8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid
| Molecular Formula | C15H7NO3S |
|---|---|
| Molecular Weight | 281.01468 g/mol |
| LogP | 3.21 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.01468 |
| Heavy Atoms | 20 |
| Complexity | 910.6 |
Chemical Identifiers
| CAS Number | 82-63-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NSC4=C(C=CC(=C43)C2=O)C(=O)O |
Product Overview
6H-Anthra(9,1-cd)isothiazole-3-carboxylic acid, 6-oxo- (CAS 82-63-3), with molecular formula C15H7NO3S and molecular weight 281.01468 g/mol. IUPAC: 8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene-12-carboxylic acid.
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