| CAS Number | 59212-11-2 |
| Catalog Number | AG00VTIM(AGN-PC-0SROCK) |
| Chemical Name | 2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C12H16O4/c1-12(2,11(13)14)8-5-6-9(15-3)10(7-8)16-4/h5-7H,1-4H3,(H,13,14) |
| InChI Key | FUSMQKBNNJVGSB-UHFFFAOYSA-N |
| MDL Number | MFCD11036939 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | COC=1C=C(C=CC1OC)C(C(=O)O)(C)C |
| Synonyms | 2-(3,4-DIMETHOXYPHENYL)-2-METHYLPROPANOIC ACID,
59212-11-2,
SCHEMBL602723,
DTXSID20482824,
FUSMQKBNNJVGSB-UHFFFAOYSA-N,
MFCD11036939,
ZINC31773341,
AKOS010214371,
MCULE-8617421082,
NE33461,
NS-02777,
Z1407672965,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number