| CAS Number | 36610-02-3 |
| Catalog Number | AG01A3UH(AGN-PC-06MUVP) |
| Chemical Name | 2-(2-Methylpropane-2-sulfonyl)acetic acid |
| IUPAC Name | 2-tert-butylsulfonylacetic acid |
| InChI | InChI=1S/C6H12O4S/c1-6(2,3)11(9,10)4-5(7)8/h4H2,1-3H3,(H,7,8) |
| InChI Key | KFJMFIWWEMGNQI-UHFFFAOYSA-N |
| MDL Number | MFCD06208069 |
| Molecular Formula | C6H12O4S |
| Molecular Weight | 180.2221 |
| SMILES | CC(S(CC(O)=O)(=O)=O)(C)C |
| Synonyms | 2-(2-methylpropane-2-sulfonyl)acetic acid,
36610-02-3,
DTXSID50656036,
ZINC35319933,
AKOS009479369,
MCULE-9872507977,
NE13110,
(2-Methylpropane-2-sulfonyl)acetic acid,
2-(TERT-BUTYLSULFONYL)ACETIC ACID,
SC-38721,
Z1569708890,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.218g/mol |
| Monoisotopic Mass | 180.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number