| CAS Number | 1183487-83-3 |
| Catalog Number | AG01ABJE |
| Chemical Name | 2-Methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid |
| IUPAC Name | 2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid |
| InChI | InChI=1S/C14H20O3/c1-10(2)9-17-12-7-5-11(6-8-12)14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16) |
| InChI Key | FDTFWXQBGIXJEW-UHFFFAOYSA-N |
| MDL Number | MFCD12896700 |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.3068 |
| SMILES | CC(COC1=CC=C(C(C(O)=O)(C)C)C=C1)C |
| Synonyms | 2-methyl-2-[4-(2-methylpropoxy)phenyl]propanoic acid,
1183487-83-3,
AC1Q1PSN,
SCHEMBL19469568,
ZINC37934481,
AKOS005793626,
MCULE-7763425998,
NE15599,
EN300-71840,
Z1270384400,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.311g/mol |
| Monoisotopic Mass | 236.141g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number