| CAS Number | 18454-84-7 |
| Catalog Number | AG01BCUQ |
| Chemical Name | 3-(Propan-2-yl)furan-2-carboxylic acid |
| IUPAC Name | 3-propan-2-ylfuran-2-carboxylic acid |
| InChI | InChI=1S/C8H10O3/c1-5(2)6-3-4-11-7(6)8(9)10/h3-5H,1-2H3,(H,9,10) |
| InChI Key | GGZQXYUJERMCMZ-UHFFFAOYSA-N |
| MDL Number | MFCD28383703 |
| Molecular Formula | C8H10O3 |
| Molecular Weight | 154.1632 |
| SMILES | CC(C1=C(C(O)=O)OC=C1)C |
| Synonyms | 3-(propan-2-yl)furan-2-carboxylic acid,
18454-84-7,
2-Furancarboxylic acid, 3-(1-methylethyl)-,
SCHEMBL11253382,
ZINC59362872,
AKOS022966753,
Z2017843268,
|
| Complexity | 153 |
| 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 | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number