| CAS Number | 785793-89-7 |
| Catalog Number | AG0052Q4(AGN-PC-0JKPOR) |
| Chemical Name | 2-((2-Hydroxyphenyl)thio)acetic acid |
| IUPAC Name | 2-(2-hydroxyphenyl)sulfanylacetic acid |
| InChI | InChI=1S/C8H8O3S/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11) |
| InChI Key | OUTAPFRSXHRXSX-UHFFFAOYSA-N |
| MDL Number | MFCD16159876 |
| Molecular Formula | C8H8O3S |
| Molecular Weight | 184.2123 |
| SMILES | OC(CSC1=C(O)C=CC=C1)=O |
| Synonyms | 785793-89-7,
2-[(2-hydroxyphenyl)sulfanyl]acetic acid,
2-((2-Hydroxyphenyl)thio)acetic acid,
[(2-hydroxyphenyl)sulfanyl]acetic acid,
Acetic acid, [(2-hydroxyphenyl)thio]-,
(2-hydroxyphenylthio)acetic acid,
2-(2-hydroxyphenyl)sulfanylacetic Acid,
AC1L1XSK,
AC1Q5WTY,
SCHEMBL6659512,
CTK2F9788,
DTXSID30275401,
ZINC1852106,
AKOS011276254,
MCULE-9851363930,
NE51683,
CID37470,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.209g/mol |
| Monoisotopic Mass | 184.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 82.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number