| CAS Number | 363186-13-4 |
| Catalog Number | AG00C8GI(AGN-PC-0WB53M) |
| Chemical Name | 3-Ethoxy-4-((2-methylallyl)oxy)benzaldehyde |
| IUPAC Name | 3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde |
| InChI | InChI=1S/C13H16O3/c1-4-15-13-7-11(8-14)5-6-12(13)16-9-10(2)3/h5-8H,2,4,9H2,1,3H3 |
| InChI Key | GJMOOYUPIDSNJK-UHFFFAOYSA-N |
| MDL Number | MFCD08691925 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | C1(OCC)C=C(C=CC=1OCC(C)=C)C=O |
| Synonyms | 363186-13-4,
3-ETHOXY-4-[(2-METHYL-2-PROPEN-1-YL)OXY]BENZALDEHYDE,
SCHEMBL5784372,
CTK4H6295,
DTXSID90625029,
GJMOOYUPIDSNJK-UHFFFAOYSA-N,
Benzaldehyde, 3-ethoxy-4-[(2-methyl-2-propenyl)oxy]- (9CI),
MFCD08691925,
ZINC19094243,
AKOS000195520,
AJ-72384,
3-Ethoxy-4-((2-methylallyl)oxy)benzaldehyde,
Y-4563,
3-ethoxy-4-(2-methyl-2-propenyloxy)benzaldehyde,
3-Ethoxy-4-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde,
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| Complexity | 237 |
| 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 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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