| CAS Number | 42288-41-5 |
| Catalog Number | AG01A40L(AGN-PC-0WD72I) |
| Chemical Name | 2-(4-methanesulfonylphenoxy)acetic acid |
| IUPAC Name | 2-(4-methylsulfonylphenoxy)acetic acid |
| InChI | InChI=1S/C9H10O5S/c1-15(12,13)8-4-2-7(3-5-8)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChI Key | ZDUFIHMADJNVIQ-UHFFFAOYSA-N |
| MDL Number | MFCD00233489 |
| Molecular Formula | C9H10O5S |
| Molecular Weight | 230.2377 |
| SMILES | CS(C1=CC=C(OCC(O)=O)C=C1)(=O)=O |
| Synonyms | 42288-41-5,
2-(4-methanesulfonylphenoxy)acetic acid,
2-(4-methylsulfonylphenoxy)acetic acid,
Acetic acid, 2-(4-(methylsulfonyl)phenoxy)-,
4-Mesylphenoxyacetic acid,
[4-(methylsulfonyl)phenoxy]acetic acid,
AC1L45GB,
AG-664/25003438,
SCHEMBL7363412,
CTK1D7450,
DTXSID40195121,
4-Methanesulfonylphenoxyacetic acid,
ZINC340920,
SBB097590,
AKOS009990589,
MCULE-1033971099,
NE51725,
2-[4-(methylsulfonyl)phenoxy]acetic acid,
Z1533284794,
CID179540,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.234g/mol |
| Monoisotopic Mass | 230.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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