| CAS Number | 5638-33-5 |
| Catalog Number | AG01EKID(AGN-PC-0SLK2Q) |
| Chemical Name | 2-Cyclohexyl-3-phenylpropanoic acid |
| IUPAC Name | 2-cyclohexyl-3-phenylpropanoic acid |
| InChI | InChI=1S/C15H20O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,16,17) |
| InChI Key | JRILKALTDODAHU-UHFFFAOYSA-N |
| MDL Number | MFCD23300696 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| NSC Number | 31604 |
| SMILES | OC(C(C1CCCCC1)CC1=CC=CC=C1)=O |
| Synonyms | 2-cyclohexyl-3-phenylpropanoic acid,
5638-33-5,
NSC31604,
AC1L5PME,
AC1Q5RYK,
NSC-31604,
AKOS017972533,
AR-1E0952,
CID233245,
6345-43-3,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number