| CAS Number | 13341-77-0 |
| Catalog Number | AG01BF65(AGN-PC-0WOSJ3) |
| Chemical Name | 5-Acetylfuran-2-carboxylic acid |
| IUPAC Name | 5-acetylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H6O4/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10) |
| InChI Key | MVLQSHUTWBHYIU-UHFFFAOYSA-N |
| MDL Number | MFCD18431708 |
| Molecular Formula | C7H6O4 |
| Molecular Weight | 154.1201 |
| SMILES | O=C(C1=CC=C(C(C)=O)O1)O |
| Synonyms | 5-acetylfuran-2-carboxylic acid,
13341-77-0,
5-Acetyl-2-furoic acid,
5-acetyl-furan-2-carboxylic acid,
SCHEMBL6239663,
5-acetyl-2-furan-carboxylic acid,
MVLQSHUTWBHYIU-UHFFFAOYSA-N,
2-acetyl-fur-5-yl carboxylic acid,
ZINC39395055,
AKOS022635077,
NE28114,
Z1889917007,
|
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number