| CAS Number | 858491-87-9 |
| Catalog Number | AG01EKBV |
| Chemical Name | 4-methyl-2-(2-phenylethyl)pentanoic acid |
| IUPAC Name | 4-methyl-2-(2-phenylethyl)pentanoic acid |
| InChI | InChI=1S/C14H20O2/c1-11(2)10-13(14(15)16)9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16) |
| InChI Key | AHCWJXSPNYCXTQ-UHFFFAOYSA-N |
| MDL Number | MFCD16311387 |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.3074 |
| SMILES | CC(CC(C(O)=O)CCC1=CC=CC=C1)C |
| Synonyms | AKOS017555442,
4-methyl-2-(2-phenylethyl)pentanoic acid,
858491-87-9,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.312g/mol |
| Monoisotopic Mass | 220.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number