| CAS Number | 57830-38-3 |
| Catalog Number | AG00EDUN(AGN-PC-026XNZ) |
| Chemical Name | 2-(Ethanesulfinyl)acetic acid |
| IUPAC Name | 2-ethylsulfinylacetic acid |
| InChI | InChI=1S/C4H8O3S/c1-2-8(7)3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChI Key | KXBITTYZPHWSOO-UHFFFAOYSA-N |
| MDL Number | MFCD10686577 |
| Molecular Formula | C4H8O3S |
| Molecular Weight | 136.1695 |
| SMILES | CCS(CC(O)=O)=O |
| Synonyms | 57830-38-3,
2-(ethanesulfinyl)acetic acid,
(ETHYLSULFINYL)ACETIC ACID,
(Ethanesulfinyl)acetic acid,
SCHEMBL6045407,
CTK5A7512,
DTXSID10598145,
MFCD10686577,
AKOS015951155,
NE14769,
AB1008825,
aceticacid,
null,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.165g/mol |
| Monoisotopic Mass | 136.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number