| CAS Number | 79128-14-6 |
| Catalog Number | AG01BCQ1 |
| Chemical Name | 2-Isopropoxy-4-Methoxybenzoic Acid |
| IUPAC Name | 4-methoxy-2-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C11H14O4/c1-7(2)15-10-6-8(14-3)4-5-9(10)11(12)13/h4-7H,1-3H3,(H,12,13) |
| InChI Key | WHAPKQZDOXOUOQ-UHFFFAOYSA-N |
| MDL Number | MFCD14650706 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | O=C(O)C1=CC=C(OC)C=C1OC(C)C |
| Synonyms | 4-methoxy-2-(propan-2-yloxy)benzoic acid,
79128-14-6,
SCHEMBL1282546,
ZINC42372635,
AKOS010520299,
NE30763,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.229g/mol |
| Monoisotopic Mass | 210.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number