| CAS Number | 1248462-73-8 |
| Catalog Number | AG01BEN8(AGN-PC-0WOTBA) |
| Chemical Name | 3-cyclopropyl-4-methoxybenzoic acid |
| IUPAC Name | 3-cyclopropyl-4-methoxybenzoic acid |
| InChI | InChI=1S/C11H12O3/c1-14-10-5-4-8(11(12)13)6-9(10)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13) |
| InChI Key | PKKIXISBOJSXAA-UHFFFAOYSA-N |
| MDL Number | MFCD16778837 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | COC1=C(C2CC2)C=C(C(O)=O)C=C1 |
| Synonyms | 3-cyclopropyl-4-methoxybenzoic acid,
1248462-73-8,
SCHEMBL10186121,
ZINC52886451,
AKOS011779379,
NE29194,
Z1881598945,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number