| CAS Number | 26690-96-0 |
| Catalog Number | AG00BLHT(AGN-PC-0NKFT7) |
| Chemical Name | 2-Benzofurancarboxylic acid, 3-ethyl- |
| IUPAC Name | 3-ethyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c1-2-7-8-5-3-4-6-9(8)14-10(7)11(12)13/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | PSJMNAIMOCVKGC-UHFFFAOYSA-N |
| MDL Number | MFCD11188861 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | C(C)C1=C(OC2=C1C=CC=C2)C(=O)O |
| Synonyms | 26690-96-0,
3-Ethyl-1-benzofuran-2-carboxylic acid,
3-ethylbenzofuran-2-carboxylic acid,
2-Benzofurancarboxylic acid, 3-ethyl-,
SCHEMBL2773751,
CTK0I5983,
DTXSID90510769,
ZINC20429362,
AKOS009265269,
Z2234185620,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number