| CAS Number | 2939-13-1 |
| Catalog Number | AG01A7OW |
| Chemical Name | 3-Methyl-5-phenylpentanoic acid |
| IUPAC Name | 3-methyl-5-phenylpentanoic acid |
| InChI | InChI=1S/C12H16O2/c1-10(9-12(13)14)7-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14) |
| InChI Key | PLKOKNXTRCQIJG-UHFFFAOYSA-N |
| MDL Number | MFCD11172878 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC(CC(O)=O)CCC1=CC=CC=C1 |
| Synonyms | 3-methyl-5-phenylpentanoic acid,
2939-13-1,
AC1Q1R0T,
SCHEMBL4439360,
5-phenyl-3-methylpentanoic acid,
CTK6A6447,
PLKOKNXTRCQIJG-UHFFFAOYSA-N,
AKOS009220616,
MCULE-1602400546,
NE54873,
3-methyl-5-phenylpentanoic acid, AldrichCPR,
EN300-59393,
A1-08244,
Z1270387305,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number