| CAS Number | 246177-37-7 |
| Catalog Number | AG00BFMD(AGN-PC-03OPJ3) |
| Chemical Name | methyl 4-hydroxy-1-benzothiophene-5-carboxylate |
| IUPAC Name | methyl 4-hydroxy-1-benzothiophene-5-carboxylate |
| InChI | InChI=1S/C10H8O3S/c1-13-10(12)7-2-3-8-6(9(7)11)4-5-14-8/h2-5,11H,1H3 |
| InChI Key | RAWQGMFTJYIMMQ-UHFFFAOYSA-N |
| MDL Number | MFCD14584668 |
| Molecular Formula | C10H8O3S |
| Molecular Weight | 208.2337 |
| SMILES | COC(=O)c1ccc2sccc2c1O |
| Synonyms | Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate,
246177-37-7,
Methyl 4-hydroxy-1-benzothiophene-5-carboxylate,
PubChem17217,
SCHEMBL6283230,
4-Hydroxy-benzo[b]thiophene-5-carboxylic acid methyl ester,
DTXSID60625450,
EX-A599,
RAWQGMFTJYIMMQ-UHFFFAOYSA-N,
MFCD14584668,
ZINC75629601,
FCH1385158,
ACM246177377,
DB-025150,
CS-0028589,
FT-0707502,
Benzo[b]thiophene-5-carboxylic acid, 4-hydroxy-, methyl ester,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.231g/mol |
| Monoisotopic Mass | 208.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number