| CAS Number | 1430328-71-4 |
| Catalog Number | AG01B1T4 |
| Chemical Name | rel-(1R,2R)-2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1S,2R)-2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H14O4/c1-15-7-3-4-11(16-2)9(5-7)8-6-10(8)12(13)14/h3-5,8,10H,6H2,1-2H3,(H,13,14)/t8-,10-/m0/s1 |
| InChI Key | GACWXAABXADULL-WPRPVWTQSA-N |
| MDL Number | MFCD31567276 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | COc1ccc(cc1[C@@H]1C[C@H]1C(=O)O)OC |
| Synonyms | 1430328-71-4,
ZINC32014143,
rac-(1R,2R)-2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid, trans,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number