| CAS Number | 1094263-50-9 |
| Catalog Number | AG01A26B(AGN-PC-0WO0SG) |
| Chemical Name | 5-(2-Methylcyclopropyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(2-methylcyclopropyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C9H10O3/c1-5-4-6(5)7-2-3-8(12-7)9(10)11/h2-3,5-6H,4H2,1H3,(H,10,11) |
| InChI Key | PZVUYARJEJLOEQ-UHFFFAOYSA-N |
| MDL Number | MFCD11179500 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | CC1C(C2OC(C(O)=O)=CC=2)C1 |
| Synonyms | 5-(2-methylcyclopropyl)furan-2-carboxylic acid,
1094263-50-9,
AKOS009313162,
MCULE-9149060557,
NE46534,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number