| CAS Number | 152567-84-5 |
| Catalog Number | AG01A1WD |
| Chemical Name | 2-(5-Ethylthiophene-2-carbonyl)benzoic acid |
| IUPAC Name | 2-(5-ethylthiophene-2-carbonyl)benzoic acid |
| InChI | InChI=1S/C14H12O3S/c1-2-9-7-8-12(18-9)13(15)10-5-3-4-6-11(10)14(16)17/h3-8H,2H2,1H3,(H,16,17) |
| InChI Key | CRVNPJNPROPZAD-UHFFFAOYSA-N |
| MDL Number | MFCD05669514 |
| Molecular Formula | C14H12O3S |
| Molecular Weight | 260.3083 |
| SMILES | CCC1SC(C(C2=C(C(O)=O)C=CC=C2)=O)=CC=1 |
| Synonyms | 2-(5-ethylthiophene-2-carbonyl)benzoic acid,
152567-84-5,
2-[(5-ethyl-2-thienyl)carbonyl]benzenecarboxylic acid,
SMR000126741,
AC1NP7QS,
MLS000544984,
CHEMBL1876931,
CHEBI:114563,
HMS2332L12,
KS-00003O5P,
ZINC4105600,
MFCD05669514,
AKOS005107501,
MCULE-8982161958,
MS-1295,
NE53567,
SR-01000308375,
SR-01000308375-1,
Z1696091873,
CID5153038,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.307g/mol |
| Monoisotopic Mass | 260.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number