| CAS Number | 1539820-78-4 |
| Catalog Number | AG01B8U8 |
| Chemical Name | 5-ethyl-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 5-ethyl-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c1-2-7-3-4-10-8(5-7)9(6-14-10)11(12)13/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | VNWMEWXSWLJESC-UHFFFAOYSA-N |
| MDL Number | MFCD21281684 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CCC1=CC2=C(OC=C2C(O)=O)C=C1 |
| Synonyms | 5-ethyl-1-benzofuran-3-carboxylic acid,
1539820-78-4,
ZINC84061164,
AKOS015009252,
Z2050687812,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number