| CAS Number | 85686-10-8 |
| Catalog Number | AG00JCC7(AGN-PC-0WC1S1) |
| Chemical Name | 2-Isopropoxy-3-methoxybenzoic acid |
| IUPAC Name | 3-methoxy-2-propan-2-yloxybenzoic acid |
| InChI | InChI=1S/C11H14O4/c1-7(2)15-10-8(11(12)13)5-4-6-9(10)14-3/h4-7H,1-3H3,(H,12,13) |
| InChI Key | ICFABYWULDECIF-UHFFFAOYSA-N |
| MDL Number | MFCD12028129 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.2265 |
| SMILES | COC1=C(OC(C)C)C(C(O)=O)=CC=C1 |
| Synonyms | 2-isopropoxy-3-methoxybenzoic acid,
85686-10-8,
3-methoxy-2-(propan-2-yloxy)benzoic acid,
CTK7B0161,
ALBB-009069,
ZX-AN007964,
BBL018059,
MFCD12028129,
STK505713,
ZINC34927120,
AKOS005172043,
MCULE-1676335441,
BBV-23467786,
TR-060959,
T2407,
|
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number