| CAS Number | 862089-27-8 |
| Catalog Number | AG01AGAL |
| Chemical Name | 5-Cyclopropylfuran-2-carboxylic acid |
| IUPAC Name | 5-cyclopropylfuran-2-carboxylic acid |
| InChI | InChI=1S/C8H8O3/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10) |
| InChI Key | QBRNFCZNZWSRKJ-UHFFFAOYSA-N |
| MDL Number | MFCD06802413 |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.1473 |
| SMILES | OC(C1OC(C2CC2)=CC=1)=O |
| Synonyms | 5-cyclopropylfuran-2-carboxylic acid,
862089-27-8,
2-Furancarboxylic acid, 5-cyclopropyl-,
SCHEMBL4257766,
ZINC22201043,
AKOS004118935,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.149g/mol |
| Monoisotopic Mass | 152.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number