| CAS Number | 6179-26-6 |
| Catalog Number | AG00EK8F(AGN-PC-0JTLG6) |
| Chemical Name | 1-Benzothiophene-6-carboxylic acid |
| IUPAC Name | 1-benzothiophene-6-carboxylic acid |
| InChI | InChI=1S/C9H6O2S/c10-9(11)7-2-1-6-3-4-12-8(6)5-7/h1-5H,(H,10,11) |
| InChI Key | VMGLLMDIYIPVHX-UHFFFAOYSA-N |
| MDL Number | MFCD09035243 |
| Molecular Formula | C9H6O2S |
| Molecular Weight | 178.2077 |
| SMILES | O=C(C1=CC=C2C=CSC2=C1)O |
| Synonyms | benzo[b]thiophene-6-carboxylic acid,
6179-26-6,
1-Benzothiophene-6-carboxylic acid,
VMGLLMDIYIPVHX-UHFFFAOYSA-N,
Benzo(b)thiophene-6-carboxylic acid,
AC1LCJD2,
SCHEMBL1891764,
ZINC32220939,
1-Benzothiophene-6-carboxylic acid #,
AKOS004123259,
AS06416,
CM10726,
DB-073013,
FT-0711721,
CID601281,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.205g/mol |
| Monoisotopic Mass | 178.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number