| CAS Number | 100256-89-1 |
| Catalog Number | AG0001DZ(AGN-PC-0OPJIK) |
| Chemical Name | 3-Ethoxy-2-propoxybenzaldehyde |
| IUPAC Name | 3-ethoxy-2-propoxybenzaldehyde |
| InChI | InChI=1S/C12H16O3/c1-3-8-15-12-10(9-13)6-5-7-11(12)14-4-2/h5-7,9H,3-4,8H2,1-2H3 |
| InChI Key | NGLILBQTESXZCG-UHFFFAOYSA-N |
| MDL Number | MFCD05263779 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CCCOC1=C(C=O)C=CC=C1OCC |
| Synonyms | 3-ethoxy-2-propoxybenzaldehyde,
100256-89-1,
Benzaldehyde,3-ethoxy-2-propoxy-,
AC1Q2YBE,
ACMC-1BSS8,
AC1MY5C6,
3-ethoxy-2-propoxy-benzaldehyde,
CTK3J8701,
DTXSID30397314,
Benzaldehyde, 3-ethoxy-2-propoxy-,
ZINC3887665,
AKOS008963581,
MCULE-3957836740,
NE29130,
RT-008722,
EN300-09140,
ZINC03887665,
CID3851394,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number