| CAS Number | 1505-61-9 |
| Catalog Number | AG01BBQD(AGN-PC-01NH96) |
| Chemical Name | 7-methyl-1-benzothiophene-2-carboxylic acid |
| IUPAC Name | 7-methyl-1-benzothiophene-2-carboxylic acid |
| InChI | InChI=1S/C10H8O2S/c1-6-3-2-4-7-5-8(10(11)12)13-9(6)7/h2-5H,1H3,(H,11,12) |
| InChI Key | GRSRVFZGUQIYTP-UHFFFAOYSA-N |
| MDL Number | MFCD07377079 |
| Molecular Formula | C10H8O2S |
| Molecular Weight | 192.2343 |
| SMILES | CC1=C2C(C=C(C(O)=O)S2)=CC=C1 |
| Synonyms | 1505-61-9,
7-methylbenzo[b]thiophene-2-carboxylic acid,
7-methyl-1-benzothiophene-2-carboxylic acid,
Benzo[b]thiophene-2-carboxylic acid, 7-methyl-,
SCHEMBL2804035,
ZINC82891238,
AKOS022915951,
AS06407,
CM10716,
Z2111524780,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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