| CAS Number | 885532-14-9 |
| Catalog Number | AG01ABDQ |
| Chemical Name | 6-sulfamoyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid |
| IUPAC Name | 6-sulfamoyl-3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO5S/c11-17(14,15)8-1-2-9-6(4-8)3-7(5-16-9)10(12)13/h1-2,4,7H,3,5H2,(H,12,13)(H2,11,14,15) |
| InChI Key | JPLWTCNEAYJRLQ-UHFFFAOYSA-N |
| MDL Number | MFCD08444529 |
| Molecular Formula | C10H11NO5S |
| Molecular Weight | 257.2630 |
| SMILES | O=C(C2COC1=CC=C(S(=O)(N)=O)C=C1C2)O |
| Synonyms | 6-sulfamoyl-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid,
6-(AMINOSULFONYL)CHROMANE-3-CARBOXYLIC ACID,
885532-14-9,
AC1Q55FN,
CTK7J0685,
6-sulfamoylchroman-3-carboxylic acid,
AKOS000138885,
AKOS023867557,
MCULE-7065217770,
NE58041,
EN300-71318,
Z228584340,
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| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.26g/mol |
| Monoisotopic Mass | 257.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number