| CAS Number | 82787-84-6 |
| Catalog Number | AG00GAL2(AGN-PC-00NE70) |
| Chemical Name | 6-Methylbenzo[b]thiophene-3-carboxylic acid |
| IUPAC Name | 6-methyl-1-benzothiophene-3-carboxylic acid |
| InChI | InChI=1S/C10H8O2S/c1-6-2-3-7-8(10(11)12)5-13-9(7)4-6/h2-5H,1H3,(H,11,12) |
| InChI Key | LGPZMCSOENSZPL-UHFFFAOYSA-N |
| MDL Number | MFCD03419862 |
| Molecular Formula | C10H8O2S |
| Molecular Weight | 192.2343 |
| SMILES | CC1=CC2=C(C(C(O)=O)=CS2)C=C1 |
| Synonyms | 6-methyl-1-benzothiophene-3-carboxylic acid,
6-methylbenzo[b]thiophene-3-carboxylic acid,
82787-84-6,
Benzo[b]thiophene-3-carboxylic acid, 6-methyl-,
SCHEMBL6130768,
LGPZMCSOENSZPL-UHFFFAOYSA-N,
ALBB-000926,
ZINC6296335,
STK502382,
AKOS005457756,
MCULE-2876781408,
NCGC00336946-01,
TR-051329,
BB 0260326,
AB01330094-02,
Z1973465548,
N/A,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.232g/mol |
| Monoisotopic Mass | 192.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number