| CAS Number | 35768-35-5 |
| Catalog Number | AG01BHSD(AGN-PC-0WOR4X) |
| Chemical Name | 2-Propylfuran-3-carboxylic acid |
| IUPAC Name | 2-propylfuran-3-carboxylic acid |
| InChI | InChI=1S/C8H10O3/c1-2-3-7-6(8(9)10)4-5-11-7/h4-5H,2-3H2,1H3,(H,9,10) |
| InChI Key | PPMJYIYLTWFJBM-UHFFFAOYSA-N |
| MDL Number | MFCD20648231 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | CCCC1=C(C(O)=O)C=CO1 |
| Synonyms | 2-propylfuran-3-carboxylic acid,
35768-35-5,
3-Furancarboxylic acid, 2-propyl-,
ZINC34628051,
AKOS026741517,
Z1981870477,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.165g/mol |
| Monoisotopic Mass | 154.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number