| CAS Number | 1012-15-3 |
| Catalog Number | AG01A59B(AGN-PC-0OQGFL) |
| Chemical Name | 2-Methyl-3-(4-methylphenyl)propanoic acid |
| IUPAC Name | 2-methyl-3-(4-methylphenyl)propanoic acid |
| InChI | InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)7-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13) |
| InChI Key | ZJBQYRLHEYPLEL-UHFFFAOYSA-N |
| MDL Number | MFCD00796497 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | CC(C(O)=O)CC1=CC=C(C)C=C1 |
| Synonyms | 2-methyl-3-(4-methylphenyl)propanoic Acid,
1012-15-3,
AC1NE7TL,
alpha-methyl-beta-(4-methylphenyl)propionic acid,
SCHEMBL1716550,
ZJBQYRLHEYPLEL-UHFFFAOYSA-N,
2-Methyl-3-p-tolyl-propionic acid,
AKOS000345371,
AKOS016050877,
MCULE-4590037722,
NE27047,
3-(4-methylphenyl)-2-methylpropionic acid,
CID4613139,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number