| CAS Number | 1125-59-3 |
| Catalog Number | AG01AD8Q(AGN-PC-0NXY3I) |
| Chemical Name | 5-Formyl-2-methylfuran-3-carboxylic acid |
| IUPAC Name | 5-formyl-2-methylfuran-3-carboxylic acid |
| InChI | InChI=1S/C7H6O4/c1-4-6(7(9)10)2-5(3-8)11-4/h2-3H,1H3,(H,9,10) |
| InChI Key | FSEZQVUZNUMBDP-UHFFFAOYSA-N |
| MDL Number | MFCD20638665 |
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.1201 |
| SMILES | CC1=C(C(O)=O)C=C(C=O)O1 |
| Synonyms | 5-formyl-2-methylfuran-3-carboxylic acid,
1125-59-3,
SCHEMBL3907975,
AKOS034098609,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.121g/mol |
| Monoisotopic Mass | 154.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number