| CAS Number | 77133-27-8 |
| Catalog Number | AG00GGK0(AGN-PC-0NJQTK) |
| Chemical Name | 4-Methoxythiophene-2-carboxylic acid |
| IUPAC Name | 4-methoxythiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H6O3S/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8) |
| InChI Key | RZKNUGQFDJQRJO-UHFFFAOYSA-N |
| MDL Number | MFCD08695893 |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.1750 |
| SMILES | O=C(C1=CC(OC)=CS1)O |
| Synonyms | 4-methoxythiophene-2-carboxylic acid,
77133-27-8,
4-methoxy-2-thiophenecarboxylic acid,
2-Thiophenecarboxylic acid, 4-methoxy-,
SCHEMBL4703482,
RZKNUGQFDJQRJO-UHFFFAOYSA-N,
MFCD08695893,
ZINC20080825,
AKOS000263874,
NE34139,
FT-0734347,
Z1324054908,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.171g/mol |
| Monoisotopic Mass | 158.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number