| CAS Number | 764722-92-1 |
| Catalog Number | AG005XVN(AGN-PC-03JLEM) |
| Chemical Name | 5-(4-Methoxy-2-methylphenyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(4-methoxy-2-methylphenyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C13H12O3S/c1-8-7-9(16-2)3-4-10(8)11-5-6-12(17-11)13(14)15/h3-7H,1-2H3,(H,14,15) |
| InChI Key | FAVOJKUFLBVYGT-UHFFFAOYSA-N |
| MDL Number | MFCD07375986 |
| Molecular Formula | C13H12O3S |
| Molecular Weight | 248.2976 |
| SMILES | COc1ccc(c(c1)C)c1ccc(s1)C(=O)O |
| Synonyms | 5-(4-METHOXY-2-METHYLPHENYL)THIOPHENE-2-CARBOXYLIC ACID,
764722-92-1,
ACMC-209p3s,
SCHEMBL6018827,
CTK5E3005,
DTXSID00621956,
1905AC,
ANW-36806,
MFCD07375986,
ZINC40231852,
AKOS010307919,
AJ-101628,
AX8243290,
BC4257546,
TR-037730,
B-4699,
I04-2679,
C13H12O3S,
5-(4-Methoxy-2-methylphenyl)thiophene-2-carboxylicacid,
|
| Complexity | 282 |
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number