| CAS Number | 199102-91-5 |
| Catalog Number | AG01FC4A(AGN-PC-03P5QW) |
| Chemical Name | Ethyl 3-methoxy-4-propan-2-yloxybenzoate |
| IUPAC Name | ethyl 3-methoxy-4-propan-2-yloxybenzoate |
| InChI | InChI=1S/C13H18O4/c1-5-16-13(14)10-6-7-11(17-9(2)3)12(8-10)15-4/h6-9H,5H2,1-4H3 |
| InChI Key | AFUNWYQIVFGJJV-UHFFFAOYSA-N |
| MDL Number | MFCD27964757 |
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.2796 |
| SMILES | CCOC(=O)c1ccc(c(c1)OC)OC(C)C |
| Synonyms | Ethyl 3-methoxy-4-propan-2-yloxybenzoate,
199102-91-5,
SCHEMBL7684319,
ZINC57960733,
AKOS017088722,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.283g/mol |
| Monoisotopic Mass | 238.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number