| CAS Number | 915920-39-7 |
| Catalog Number | AG00GTOL(AGN-PC-0WB3TG) |
| Chemical Name | 3-Allyl-5-ethoxy-4-propoxybenzaldehyde |
| IUPAC Name | 3-ethoxy-5-prop-2-enyl-4-propoxybenzaldehyde |
| InChI | InChI=1S/C15H20O3/c1-4-7-13-9-12(11-16)10-14(17-6-3)15(13)18-8-5-2/h4,9-11H,1,5-8H2,2-3H3 |
| InChI Key | BMESCLKAQSWNNI-UHFFFAOYSA-N |
| MDL Number | MFCD08691695 |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.3175 |
| SMILES | C1(OCCC)C(CC=C)=CC(=CC=1OCC)C=O |
| Synonyms | 3-ALLYL-5-ETHOXY-4-PROPOXYBENZALDEHYDE,
915920-39-7,
CTK5G9912,
DTXSID10650934,
CHEMBRDG-BB 4024665,
ZX-CM005447,
MFCD08691695,
ZINC19091286,
AKOS005353495,
AJ-71577,
Y-4361,
3-Ethoxy-5-(prop-2-en-1-yl)-4-propoxybenzaldehyde,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.322g/mol |
| Monoisotopic Mass | 248.141g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number