| CAS Number | 89677-39-4 |
| Catalog Number | AG01AFNS(AGN-PC-0WOS8Q) |
| Chemical Name | 5-acetylfuran-3-carboxylic acid |
| IUPAC Name | 5-acetylfuran-3-carboxylic acid |
| InChI | InChI=1S/C7H6O4/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | BGXPRUOBILDAFT-UHFFFAOYSA-N |
| MDL Number | MFCD20639274 |
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.1201 |
| SMILES | CC(C1OC=C(C(O)=O)C=1)=O |
| Synonyms | 5-acetylfuran-3-carboxylic Acid,
89677-39-4,
3-Furancarboxylic acid, 5-acetyl-,
SCHEMBL6234778,
ZINC39147513,
AKOS026742289,
NE51493,
CID10654434,
|
| Complexity | 187 |
| 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 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number