| CAS Number | 22720-42-9 |
| Catalog Number | AG019T2Z |
| Chemical Name | 2-Methyl-4-phenoxybutanoic acid |
| IUPAC Name | 2-methyl-4-phenoxybutanoic acid |
| InChI | InChI=1S/C11H14O3/c1-9(11(12)13)7-8-14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13) |
| InChI Key | OPKOBMICXSNZNM-UHFFFAOYSA-N |
| MDL Number | MFCD00142095 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(C(O)=O)CCOC1=CC=CC=C1 |
| Synonyms | 2-methyl-4-phenoxybutanoic acid,
22720-42-9,
SCHEMBL1716121,
AKOS008148156,
MCULE-8031724019,
NE22979,
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number