| CAS Number | 1249221-05-3 |
| Catalog Number | AG01BCPZ |
| Chemical Name | 2-(Cyclopropylmethoxy)-4-methoxybenzoic acid |
| IUPAC Name | 2-(cyclopropylmethoxy)-4-methoxybenzoic acid |
| InChI | InChI=1S/C12H14O4/c1-15-9-4-5-10(12(13)14)11(6-9)16-7-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,13,14) |
| InChI Key | FZYUINAKIFCAOL-UHFFFAOYSA-N |
| MDL Number | MFCD14694594 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | COC1=CC(OCC2CC2)=C(C(O)=O)C=C1 |
| Synonyms | 2-(cyclopropylmethoxy)-4-methoxybenzoic acid,
1249221-05-3,
SCHEMBL17204380,
ZINC48604819,
AKOS010521309,
NE29928,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number