| CAS Number | 222046-90-4 |
| Catalog Number | AG007P7V(AGN-PC-00PESA) |
| Chemical Name | 5-oxotetrahydrothiophene-2-carboxylic acid |
| IUPAC Name | 5-oxothiolane-2-carboxylic acid |
| InChI | InChI=1S/C5H6O3S/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8) |
| InChI Key | PYSNMSYPRJCMOU-UHFFFAOYSA-N |
| MDL Number | MFCD18451483 |
| Molecular Formula | C5H6O3S |
| Molecular Weight | 146.1643 |
| SMILES | OC(C1SC(=O)CC1)=O |
| Synonyms | 5-Oxotetrahydrothiophene-2-carboxylic acid,
222046-90-4,
5-oxothiolane-2-carboxylic acid,
SCHEMBL8747193,
CTK1A0213,
DTXSID90573218,
KS-000004AT,
MFCD18451483,
AKOS006387280,
SB11201,
AS-51322,
Tetrahydro-5-oxo-2-thiophenecarboxylic acid,
2-thiophenecarboxylic acid,tetrahydro-5-oxo-,
2-Thiophenecarboxylicacid, tetrahydro-5-oxo-,
CS-0050411,
Z2753047209,
2-Thiophenecarboxylic acid, tetrahydro-5-oxo- (9CI),
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.16g/mol |
| Monoisotopic Mass | 146.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number