| CAS Number | 566157-50-4 |
| Catalog Number | AG01AHTD(AGN-PC-0SM2DM) |
| Chemical Name | 3-(2-Methoxyphenyl)-2,2-dimethylpropanoic acid |
| IUPAC Name | 3-(2-methoxyphenyl)-2,2-dimethylpropanoic acid |
| InChI | InChI=1S/C12H16O3/c1-12(2,11(13)14)8-9-6-4-5-7-10(9)15-3/h4-7H,8H2,1-3H3,(H,13,14) |
| InChI Key | FRIAIIANUDZYIQ-UHFFFAOYSA-N |
| MDL Number | MFCD16307198 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | COC1=C(CC(C(O)=O)(C)C)C=CC=C1 |
| Synonyms | 3-(2-methoxyphenyl)-2,2-dimethylpropanoic acid,
566157-50-4,
SCHEMBL4460773,
ZINC41217183,
AKOS008152830,
KS-7965,
MCULE-9505935140,
NE40571,
EN300-75741,
Z1259335748,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number