| CAS Number | 37510-29-5 |
| Catalog Number | AG00CYPH(AGN-PC-0KG3LA) |
| Chemical Name | (1-HYDROXY-2-OXO-2-PHENYLETHYL)THIO]ACETIC ACID |
| IUPAC Name | 2-(1-hydroxy-2-oxo-2-phenylethyl)sulfanylacetic acid |
| InChI | InChI=1S/C10H10O4S/c11-8(12)6-15-10(14)9(13)7-4-2-1-3-5-7/h1-5,10,14H,6H2,(H,11,12) |
| InChI Key | PXMFTQGDYRMEFO-UHFFFAOYSA-N |
| MDL Number | MFCD04633145 |
| Molecular Formula | C10H10O4S |
| Molecular Weight | 226.2490 |
| SMILES | O=C(O)CSC(O)C(C1=CC=CC=C1)=O |
| Synonyms | 37510-29-5,
[(1-hydroxy-2-oxo-2-phenylethyl)thio]acetic acid,
2-[(1-hydroxy-2-oxo-2-phenylethyl)sulfanyl]acetic acid,
AC1N8A7H,
AC1Q77P2,
(1-HYDROXY-2-OXO-2-PHENYLETHYL)THIO]ACETIC ACID,
CTK8F2208,
DTXSID20401858,
HMS1765B03,
AKOS000122820,
MCULE-4164250568,
NE28014,
EN300-14040,
SR-01000048830,
SR-01000048830-1,
2-((1-Hydroxy-2-oxo-2-phenylethyl)thio)acetic acid,
2-(1-hydroxy-2-oxo-2-phenylethyl)sulfanylacetic acid,
Z56957173,
CID4315584,
2-(1-hydroxy-2-oxo-2-phenyl-ethyl)sulfanylacetic Acid,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.246g/mol |
| Monoisotopic Mass | 226.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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