| CAS Number | 1094479-23-8 |
| Catalog Number | AG01A1DF(AGN-PC-0WO0H9) |
| Chemical Name | 2-[(2-oxooxolan-3-yl)sulfanyl]acetic acid |
| IUPAC Name | 2-(2-oxooxolan-3-yl)sulfanylacetic acid |
| InChI | InChI=1S/C6H8O4S/c7-5(8)3-11-4-1-2-10-6(4)9/h4H,1-3H2,(H,7,8) |
| InChI Key | GANJLVLIAPOZOA-UHFFFAOYSA-N |
| MDL Number | MFCD11646506 |
| Molecular Formula | C6H8O4S |
| Molecular Weight | 176.1903 |
| SMILES | OC(CSC1C(=O)OCC1)=O |
| Synonyms | 2-[(2-oxooxolan-3-yl)sulfanyl]acetic acid,
1094479-23-8,
SCHEMBL2439722,
GANJLVLIAPOZOA-UHFFFAOYSA-N,
AKOS008907351,
MCULE-3303547942,
NE60690,
(2-Oxo-tetrahydro-furan-3-ylsulfanyl)-acetic acid,
Z19691789,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.186g/mol |
| Monoisotopic Mass | 176.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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