| CAS Number | 1285204-24-1 |
| Catalog Number | AG01BCVW |
| Chemical Name | 4-methoxy-2-[2-(propan-2-yloxy)ethoxy]benzoic acid |
| IUPAC Name | 4-methoxy-2-(2-propan-2-yloxyethoxy)benzoic acid |
| InChI | InChI=1S/C13H18O5/c1-9(2)17-6-7-18-12-8-10(16-3)4-5-11(12)13(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,14,15) |
| InChI Key | OVLSTOXVRZLEGH-UHFFFAOYSA-N |
| MDL Number | MFCD13200457 |
| Molecular Formula | C13H18O5 |
| Molecular Weight | 254.2790 |
| SMILES | COC1=CC(OCCOC(C)C)=C(C(O)=O)C=C1 |
| Synonyms | 4-methoxy-2-[2-(propan-2-yloxy)ethoxy]benzoic acid,
1285204-24-1,
ZINC42224289,
AKOS009075529,
MCULE-9568679892,
NE44212,
Z149206138,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.282g/mol |
| Monoisotopic Mass | 254.115g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number