| CAS Number | 95835-74-8 |
| Catalog Number | AG019SCH(AGN-PC-00MC34) |
| Chemical Name | 5,6-Dimethyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 5,6-dimethyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c1-6-3-8-5-10(11(12)13)14-9(8)4-7(6)2/h3-5H,1-2H3,(H,12,13) |
| InChI Key | CLVJELFFCYDVPU-UHFFFAOYSA-N |
| MDL Number | MFCD20502039 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CC1=C(C)C=C2C(C=C(C(O)=O)O2)=C1 |
| Synonyms | 5,6-dimethyl-1-benzofuran-2-carboxylic acid,
95835-74-8,
SCHEMBL11746037,
MFCD20502039,
ZINC39618102,
AKOS022643270,
MCULE-6422009575,
NE28415,
AS-44011,
EN300-93119,
Z1270207979,
|
| Complexity | 239 |
| 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 | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number