| CAS Number | 1042585-89-6 |
| Catalog Number | AG01A9NB(AGN-PC-0WO3D6) |
| Chemical Name | 2-[(Oxolan-2-ylmethyl)sulfamoyl]acetic acid |
| IUPAC Name | 2-(oxolan-2-ylmethylsulfamoyl)acetic acid |
| InChI | InChI=1S/C7H13NO5S/c9-7(10)5-14(11,12)8-4-6-2-1-3-13-6/h6,8H,1-5H2,(H,9,10) |
| InChI Key | OEFCTHNOFNFRDB-UHFFFAOYSA-N |
| MDL Number | MFCD11169010 |
| Molecular Formula | C7H13NO5S |
| Molecular Weight | 223.2468 |
| SMILES | OC(CS(NCC1OCCC1)(=O)=O)=O |
| Synonyms | 2-[(oxolan-2-ylmethyl)sulfamoyl]acetic acid,
1042585-89-6,
AC1Q7691,
AKOS009205903,
MCULE-1527602237,
NE51233,
EN300-65588,
2-{[(oxolan-2-yl)methyl]sulfamoyl}acetic acid,
{[(Tetrahydro-2-furanylmethyl)amino]sulfonyl}acetic acid,
Z1222331460,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.243g/mol |
| Monoisotopic Mass | 223.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number