| CAS Number | 35848-99-8 |
| Catalog Number | AG01FB3H(AGN-PC-0NGCRU) |
| Chemical Name | 4-Ethoxycarbonylbenzaldehyde diethyl acetal |
| IUPAC Name | ethyl 4-(diethoxymethyl)benzoate |
| InChI | InChI=1S/C14H20O4/c1-4-16-13(15)11-7-9-12(10-8-11)14(17-5-2)18-6-3/h7-10,14H,4-6H2,1-3H3 |
| InChI Key | CSACGQJQSNSDGQ-UHFFFAOYSA-N |
| MDL Number | MFCD06204336 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| SMILES | CCOC(=O)c1ccc(cc1)C(OCC)OCC |
| Synonyms | 4-Ethoxycarbonylbenzaldehyde diethyl acetal,
35848-99-8,
SCHEMBL8547325,
ethyl 4-(di-ethoxymethyl)benzenecarboxylate,
Ethyl 4-(diethoxymethyl)benzoate,
CID11128780,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.31g/mol |
| Monoisotopic Mass | 252.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number