| CAS Number | 1221724-31-7 |
| Catalog Number | AG01A7XS(AGN-PC-0WOAVT) |
| Chemical Name | 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde |
| IUPAC Name | 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde |
| InChI | InChI=1S/C12H14O3/c1-3-14-11-5-9-4-8(2)15-12(9)10(6-11)7-13/h5-8H,3-4H2,1-2H3 |
| InChI Key | FKJFDKPQBHBNIH-UHFFFAOYSA-N |
| MDL Number | MFCD14705870 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | CCOC1=CC(C=O)=C2C(CC(O2)C)=C1 |
| Synonyms | 5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,
1221724-31-7,
AC1Q362N,
CTK6G0742,
AKOS026729566,
NE51956,
EN300-60116,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number