| CAS Number | 790263-77-3 |
| Catalog Number | AG019JPQ |
| Chemical Name | 4-(4-Methoxyphenyl)-5-methylthiophene-2-carboxylic acid |
| IUPAC Name | 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H12O3S/c1-8-11(7-12(17-8)13(14)15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15) |
| InChI Key | LVMYIOZBPWDMAD-UHFFFAOYSA-N |
| MDL Number | MFCD06357431 |
| Molecular Formula | C13H12O3S |
| Molecular Weight | 248.2976 |
| SMILES | COC1=CC=C(C2=C(C)SC(C(O)=O)=C2)C=C1 |
| Synonyms | 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylic acid,
790263-77-3,
AC1MZ2G3,
AC1Q4A3F,
MLS000773839,
CHEMBL1385311,
CTK7A2962,
HMS2725K10,
ZINC3888015,
AKOS000117473,
MCULE-8004749117,
NE13193,
SMR000364667,
EN300-10067,
Z56347147,
CID3865966,
4-(4-methoxyphenyl)-5-methyl-thiophene-2-carboxylic Acid,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.296g/mol |
| Monoisotopic Mass | 248.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number