| CAS Number | 2024359-30-4 |
| Catalog Number | AG01DW5B |
| Chemical Name | 2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid |
| IUPAC Name | 2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid |
| InChI | InChI=1S/C12H13FO3/c13-10-4-2-9(3-5-10)8-12(11(14)15)6-1-7-16-12/h2-5H,1,6-8H2,(H,14,15) |
| InChI Key | ZBTBLCIDBRXSDZ-UHFFFAOYSA-N |
| MDL Number | MFCD31666370 |
| Molecular Formula | C12H13FO3 |
| Molecular Weight | 224.2282 |
| SMILES | OC(C1(OCCC1)CC1=CC=C(F)C=C1)=O |
| Synonyms | 2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid,
2024359-30-4,
AKOS034181919,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.231g/mol |
| Monoisotopic Mass | 224.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number