| CAS Number | 51094-45-2 |
| Catalog Number | AG00DTF0(AGN-PC-0S9KS1) |
| Chemical Name | 2-((4-Ethoxyphenyl)thio)acetic acid |
| IUPAC Name | 2-(4-ethoxyphenyl)sulfanylacetic acid |
| InChI | InChI=1S/C10H12O3S/c1-2-13-8-3-5-9(6-4-8)14-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
| InChI Key | UEWLGUBBIVUMRG-UHFFFAOYSA-N |
| MDL Number | MFCD06382846 |
| Molecular Formula | C10H12O3S |
| Molecular Weight | 212.2655 |
| SMILES | CCOC1=CC=C(SCC(O)=O)C=C1 |
| Synonyms | 51094-45-2,
2-[(4-ethoxyphenyl)sulfanyl]acetic acid,
[(4-ethoxyphenyl)thio]acetic acid,
2-((4-ethoxyphenyl)thio)acetic acid,
2-(4-ethoxyphenyl)sulfanylacetic Acid,
AC1M7TNL,
AC1Q37UR,
CTK8F2257,
DTXSID70368780,
HMS1729C15,
ZINC3356969,
AKOS022219331,
MCULE-2198148787,
NE40646,
(4-ETHOXYPHENYL)THIO]ACETIC ACID,
EN300-12091,
Z57983012,
CID2474268,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.263g/mol |
| Monoisotopic Mass | 212.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number