| CAS Number | 1218328-99-4 |
| Catalog Number | AG01AGIP(AGN-PC-0WOR6J) |
| Chemical Name | 2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropane-1-carboxylic acid |
| IUPAC Name | 2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O3/c1-6-4-7(6)10-2-3-11(15-10)8-5-9(8)12(13)14/h2-3,6-9H,4-5H2,1H3,(H,13,14) |
| InChI Key | IHYYDFPEYUTJFS-UHFFFAOYSA-N |
| MDL Number | MFCD12068244 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | CC1C(C2OC(C3C(C(O)=O)C3)=CC=2)C1 |
| Synonyms | 2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropane-1-carboxylic acid,
1218328-99-4,
AC1Q2QOL,
AKOS009997085,
MCULE-3599067873,
NE45275,
EN300-71966,
Z1172115926,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number