| CAS Number | 22551-91-3 |
| Catalog Number | AG00BKB1(AGN-PC-00PSQU) |
| Chemical Name | Ethyl 5-formylfuran-2-carboxylate |
| IUPAC Name | ethyl 5-formylfuran-2-carboxylate |
| InChI | InChI=1S/C8H8O4/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-5H,2H2,1H3 |
| InChI Key | FPNANULSSQHZSS-UHFFFAOYSA-N |
| MDL Number | MFCD15144098 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | CCOC(C1OC(C=O)=CC=1)=O |
| Synonyms | ethyl 5-formylfuran-2-carboxylate,
22551-91-3,
ethyl 5-formyl-2-furancarboxylate,
5-formyl-2-furancarboxylic acid ethyl ester,
2-carbethoxy-5-furaldehyde,
SCHEMBL2926770,
FPNANULSSQHZSS-UHFFFAOYSA-N,
ethyl 5-formyl-furan-2-carboxylate,
5-Acetyl-2-furoic acid methyl ester,
ZINC34595092,
AKOS022637521,
NE30894,
5-formyl- 2-furancarboxylic acid ethyl ester,
|
| Complexity | 178 |
| 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 | 4 |
| 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