| CAS Number | 51690-50-7 |
| Catalog Number | AG00VSE0(AGN-PC-0SB1T1) |
| Chemical Name | 4-Methyl-3-phenylpentanoic acid |
| IUPAC Name | 4-methyl-3-phenylpentanoic acid |
| InChI | InChI=1S/C12H16O2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14) |
| InChI Key | QTSNMZCWXXMRTK-UHFFFAOYSA-N |
| MDL Number | MFCD00796472 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CC(C(C1=CC=CC=C1)CC(O)=O)C |
| Synonyms | 4-methyl-3-phenylpentanoic acid,
51690-50-7,
4-methyl-3-phenyl-pentanoic Acid,
AC1MN4QL,
AC1Q1O2D,
3-Phenyl-4-methylvaleric acid,
SCHEMBL1234229,
QTSNMZCWXXMRTK-UHFFFAOYSA-N,
AKOS000277728,
AKOS016352674,
MCULE-1327541492,
NE20650,
EN300-68861,
Z1259273166,
CID3249521,
|
| Complexity | 181 |
| 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 | 4 |
| 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