| CAS Number | 81520-20-9 |
| Catalog Number | AG01BGL0(AGN-PC-0WOUX1) |
| Chemical Name | 3-cyclohexyl-2-fluoropropanoic acid |
| IUPAC Name | 3-cyclohexyl-2-fluoropropanoic acid |
| InChI | InChI=1S/C9H15FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12) |
| InChI Key | GBRVBBDXMLRPCC-UHFFFAOYSA-N |
| MDL Number | MFCD20653404 |
| Molecular Formula | C9H15FO2 |
| Molecular Weight | 174.2126 |
| SMILES | OC(C(CC1CCCCC1)F)=O |
| Synonyms | 3-cyclohexyl-2-fluoropropanoic acid,
81520-20-9,
AKOS017532457,
F8888-4771,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.215g/mol |
| Monoisotopic Mass | 174.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number