| CAS Number | 143097-60-3 |
| Catalog Number | AG01A4PI(AGN-PC-0PTG6G) |
| Chemical Name | 2-Methyl-5-phenylpentanoic acid |
| IUPAC Name | 2-methyl-5-phenylpentanoic acid |
| InChI | InChI=1S/C12H16O2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,13,14) |
| InChI Key | ASZIHXOIQJBLRA-UHFFFAOYSA-N |
| MDL Number | MFCD14676883 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC(C(O)=O)CCCC1=CC=CC=C1 |
| Synonyms | 2-methyl-5-phenylpentanoic acid,
143097-60-3,
(+/-)-2-methyl-5-phenylpentanoic acid,
SCHEMBL3254192,
ASZIHXOIQJBLRA-UHFFFAOYSA-N,
(+)-2-methyl-5-phenylpentanoic acid,
AKOS010746371,
NE21754,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number