| CAS Number | 13794-02-0 |
| Catalog Number | AG009DT3(AGN-PC-0KVRQQ) |
| Chemical Name | 3-Methyl-2-phenoxybutanoic acid |
| IUPAC Name | 3-methyl-2-phenoxybutanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8(2)10(11(12)13)14-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,12,13) |
| InChI Key | SACSRILQPQYFIJ-UHFFFAOYSA-N |
| MDL Number | MFCD05863711 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | C(O)(=O)C(C(C)C)OC1=CC=CC=C1 |
| Synonyms | 3-methyl-2-phenoxybutanoic acid,
13794-02-0,
AC1MRIKG,
alpha-phenoxy-isovaleric acid,
2-phenoxy-3-methylbutyric acid,
SCHEMBL8846721,
CTK6A3845,
SACSRILQPQYFIJ-UHFFFAOYSA-N,
ZX-CM017044,
MFCD05863711,
AKOS000166137,
AKOS022184562,
BBV-055172,
3-methyl-2-phenoxybutanoic acid(SALTDATA,
Y-1893,
3-methyl-2-phenoxy-butanoic Acid,
CID3518603,
|
| Complexity | 183 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number