| CAS Number | 1245507-43-0 |
| Catalog Number | AG01B7EW |
| Chemical Name | methyl 5-formyl-3-methylfuran-2-carboxylate |
| IUPAC Name | methyl 5-formyl-3-methylfuran-2-carboxylate |
| InChI | InChI=1S/C8H8O4/c1-5-3-6(4-9)12-7(5)8(10)11-2/h3-4H,1-2H3 |
| InChI Key | VSHLJULDZYIMKE-UHFFFAOYSA-N |
| MDL Number | MFCD23134187 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | COC(C1=C(C)C=C(C=O)O1)=O |
| Synonyms | Methyl 5-formyl-3-methylfuran-2-carboxylate,
1245507-43-0,
ZINC238367739,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number