| CAS Number | 861528-78-1 |
| Catalog Number | AG004KUS(AGN-PC-0WB4K5) |
| Chemical Name | 3-Allyl-4-(allyloxy)-5-methoxybenzaldehyde |
| IUPAC Name | 3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzaldehyde |
| InChI | InChI=1S/C14H16O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h4-5,8-10H,1-2,6-7H2,3H3 |
| InChI Key | RPPBOALIYMJLNA-UHFFFAOYSA-N |
| MDL Number | MFCD02629579 |
| Molecular Formula | C14H16O3 |
| Molecular Weight | 232.2750 |
| SMILES | C1(OCC=C)C(CC=C)=CC(=CC=1OC)C=O |
| Synonyms | 3-ALLYL-4-(ALLYLOXY)-5-METHOXYBENZALDEHYDE,
861528-78-1,
AC1NHL16,
CTK5F6317,
DTXSID90406355,
CHEMBRDG-BB 6437586,
ZINC5661111,
ZX-CM016661,
MFCD02629579,
AKOS000287203,
AJ-54518,
W-9540,
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzaldehyde,
CID4767043,
3-methoxy-4-prop-2-enoxy-5-prop-2-enyl-benzaldehyde,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.279g/mol |
| Monoisotopic Mass | 232.11g/mol |
| Rotatable Bond Count | 7 |
| 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
Lot Number