| CAS Number | 87122-87-0 |
| Catalog Number | AG004KPW(AGN-PC-0077XG) |
| Chemical Name | Propanoic acid, 2-methyl-2-(phenylmethoxy)- |
| IUPAC Name | 2-methyl-2-phenylmethoxypropanoic acid |
| InChI | InChI=1S/C11H14O3/c1-11(2,10(12)13)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13) |
| InChI Key | WYFBQEOUPVFUFS-UHFFFAOYSA-N |
| MDL Number | MFCD14635090 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | OC(=O)C(OCc1ccccc1)(C)C |
| Synonyms | 2-(benzyloxy)-2-methylpropanoic acid,
87122-87-0,
Propanoic acid, 2-methyl-2-(phenylmethoxy)-,
2-(Benzyloxy)isobutyric acid,
SCHEMBL883026,
CTK3C5553,
DTXSID80462965,
WYFBQEOUPVFUFS-UHFFFAOYSA-N,
2-Benzyloxy-2-methylpropionic acid,
MFCD14635090,
ZINC41921616,
DA-02200,
FT-0720335,
A1-08326,
2-methyl-2-phenylmethoxy-propanoic Acid,
CID11344563,
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| Complexity | 193 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number