| CAS Number | 78405-59-1 |
| Catalog Number | AG01BA1F |
| Chemical Name | 3,4-Dimethylfuran-2-carboxylic acid |
| IUPAC Name | 3,4-dimethylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H8O3/c1-4-3-10-6(5(4)2)7(8)9/h3H,1-2H3,(H,8,9) |
| InChI Key | RGXGGXHUHMONMJ-UHFFFAOYSA-N |
| MDL Number | MFCD19230041 |
| Molecular Formula | C7H8O3 |
| Molecular Weight | 140.1366 |
| SMILES | CC1C(C)=C(C(O)=O)OC=1 |
| Synonyms | 3,4-dimethylfuran-2-carboxylic acid,
78405-59-1,
SCHEMBL4577239,
AKOS006386387,
ZINC104730395,
Z2510259445,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.138g/mol |
| Monoisotopic Mass | 140.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number