| CAS Number | 872183-40-9 |
| Catalog Number | AG004RPZ(AGN-PC-0WB4K6) |
| Chemical Name | 3-Allyl-5-ethoxy-4-methoxybenzaldehyde |
| IUPAC Name | 3-ethoxy-4-methoxy-5-prop-2-enylbenzaldehyde |
| InChI | InChI=1S/C13H16O3/c1-4-6-11-7-10(9-14)8-12(16-5-2)13(11)15-3/h4,7-9H,1,5-6H2,2-3H3 |
| InChI Key | CRALELCIWHSMCO-UHFFFAOYSA-N |
| MDL Number | MFCD02629581 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | C1(OC)C(CC=C)=CC(=CC=1OCC)C=O |
| Synonyms | 3-ALLYL-5-ETHOXY-4-METHOXYBENZALDEHYDE,
872183-40-9,
AC1NHJVX,
CTK5F8096,
DTXSID80406349,
CHEMBRDG-BB 6453644,
ZINC5651978,
ZX-CM016686,
MFCD02629581,
AKOS000290658,
AJ-54498,
3-ethoxy-4-methoxy-5-prop-2-enylbenzaldehyde,
W-9542,
3-ETHOXY-4-METHOXY-5-(PROP-2-EN-1-YL)BENZALDEHYDE,
CID4766540,
3-ethoxy-4-methoxy-5-prop-2-enyl-benzaldehyde,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.268g/mol |
| Monoisotopic Mass | 220.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number