| CAS Number | 1808795-33-6 |
| Catalog Number | AG01AMB9 |
| Chemical Name | 1-Sulfamoylcyclopropane-1-carboxylic acid |
| IUPAC Name | 1-sulfamoylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C4H7NO4S/c5-10(8,9)4(1-2-4)3(6)7/h1-2H2,(H,6,7)(H2,5,8,9) |
| InChI Key | XFKCKJYYHGZGFQ-UHFFFAOYSA-N |
| MDL Number | MFCD29033923 |
| Molecular Formula | C4H7NO4S |
| Molecular Weight | 165.1677 |
| SMILES | NS(C1(C(O)=O)CC1)(=O)=O |
| Synonyms | 1-sulfamoylcyclopropane-1-carboxylic acid,
1808795-33-6,
1-sulfamoylcyclopropanecarboxylic acid,
AKOS033805892,
ZINC116168536,
Z2216302936,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.163g/mol |
| Monoisotopic Mass | 165.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
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Certificate of Analysis
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