| CAS Number | 57960-06-2 |
| Catalog Number | AG01AJTQ(AGN-PC-0SOU42) |
| Chemical Name | 3-(4-Methylphenyl)pentanoic acid |
| IUPAC Name | 3-(4-methylphenyl)pentanoic acid |
| InChI | InChI=1S/C12H16O2/c1-3-10(8-12(13)14)11-6-4-9(2)5-7-11/h4-7,10H,3,8H2,1-2H3,(H,13,14) |
| InChI Key | KPEUQALJJUQYKQ-UHFFFAOYSA-N |
| MDL Number | MFCD08282293 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | CCC(C1=CC=C(C)C=C1)CC(O)=O |
| Synonyms | 3-(4-methylphenyl)pentanoic acid,
57960-06-2,
3-(p-Tolyl)pentanoic acid,
SCHEMBL11322774,
AKOS009219148,
MCULE-7103519000,
NE17400,
EN300-81900,
Z1259273391,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number