| CAS Number | 926189-79-9 |
| Catalog Number | AG019V97 |
| Chemical Name | 2-[2-Methyl-5-(propan-2-yl)phenoxy]propanoic Acid |
| IUPAC Name | 2-(2-methyl-5-propan-2-ylphenoxy)propanoic acid |
| InChI | InChI=1S/C13H18O3/c1-8(2)11-6-5-9(3)12(7-11)16-10(4)13(14)15/h5-8,10H,1-4H3,(H,14,15) |
| InChI Key | RWSRIUVQFIXDLK-UHFFFAOYSA-N |
| MDL Number | MFCD09043573 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CC(C1=CC(OC(C(O)=O)C)=C(C)C=C1)C |
| Synonyms | 2-[2-methyl-5-(propan-2-yl)phenoxy]propanoic acid,
926189-79-9,
2-(5-isopropyl-2-methylphenoxy)propanoic acid,
AC1Q1OI8,
CTK6A3450,
AKOS000127404,
AKOS016899318,
MCULE-8637441919,
NE37658,
FT-0713648,
EN300-44133,
Z228583440,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number