| CAS Number | 1010816-12-2 |
| Catalog Number | AG0093PY(AGN-PC-0WO0LI) |
| Chemical Name | Dimethylsulfamoyl-acetic acid |
| IUPAC Name | 2-(dimethylsulfamoyl)acetic acid |
| InChI | InChI=1S/C4H9NO4S/c1-5(2)10(8,9)3-4(6)7/h3H2,1-2H3,(H,6,7) |
| InChI Key | CIDCHEUESAYNBR-UHFFFAOYSA-N |
| MDL Number | MFCD11169121 |
| Molecular Formula | C4H9NO4S |
| Molecular Weight | 167.1836 |
| SMILES | CN(S(=O)(=O)CC(=O)O)C |
| Synonyms | 1010816-12-2,
2-(N,N-Dimethylsulfamoyl)acetic acid,
2-(dimethylsulfamoyl)acetic acid,
[(dimethylamino)sulfonyl]acetic acid,
DIMETHYLSULFAMOYL-ACETIC ACID,
SCHEMBL4248401,
MFCD11169121,
ZINC20245209,
AKOS009206843,
MCULE-4228007048,
NE39131,
CS-0084150,
Z1649893475,
ACN-039685,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.179g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number