| CAS Number | 54796-49-5 |
| Catalog Number | AG01B66U(AGN-PC-003BKA) |
| Chemical Name | 4-(Methoxymethyl)thiophene-2-carboxylic acid |
| IUPAC Name | 4-(methoxymethyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C7H8O3S/c1-10-3-5-2-6(7(8)9)11-4-5/h2,4H,3H2,1H3,(H,8,9) |
| InChI Key | DXFUEEMJYGBLKZ-UHFFFAOYSA-N |
| MDL Number | MFCD16621841 |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.2016 |
| SMILES | COCC1C=C(C(O)=O)SC=1 |
| Synonyms | 4-(Methoxymethyl)thiophene-2-carboxylic acid,
54796-49-5,
2-Thiophenecarboxylic acid, 4-(methoxymethyl)-,
SCHEMBL2658478,
CTK1F8179,
DTXSID10566884,
ZINC20442299,
AKOS015996540,
FT-0725432,
Z2568751802,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.198g/mol |
| Monoisotopic Mass | 172.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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