| CAS Number | 102169-71-1 |
| Catalog Number | AG009S4C(AGN-PC-024XM5) |
| Chemical Name | 3-Furancarboxylic acid, 5-forMyl-, Methyl ester |
| IUPAC Name | methyl 5-formylfuran-3-carboxylate |
| InChI | InChI=1S/C7H6O4/c1-10-7(9)5-2-6(3-8)11-4-5/h2-4H,1H3 |
| InChI Key | RKSNUGDDGDFSRP-UHFFFAOYSA-N |
| MDL Number | MFCD22069937 |
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.1201 |
| SMILES | COC(=O)C1=COC(=C1)C=O |
| Synonyms | methyl 5-formylfuran-3-carboxylate,
102169-71-1,
methyl 2-formyl-4-furoate,
SCHEMBL3907977,
4-methoxycarbonyl-2-furaldehyde,
ZINC82407184,
AKOS022716454,
NE33779,
3-Furancarboxylic acid, 5-formyl-, methyl ester,
|
| Complexity | 166 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.121g/mol |
| Monoisotopic Mass | 154.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number