| CAS Number | 872183-27-2 |
| Catalog Number | AG004RQ0(AGN-PC-0WB4L7) |
| Chemical Name | 3-allyl-4-ethoxy-5-methoxybenzaldehyde |
| IUPAC Name | 4-ethoxy-3-methoxy-5-prop-2-enylbenzaldehyde |
| InChI | InChI=1S/C13H16O3/c1-4-6-11-7-10(9-14)8-12(15-3)13(11)16-5-2/h4,7-9H,1,5-6H2,2-3H3 |
| InChI Key | KQKITKAUHIZELC-UHFFFAOYSA-N |
| MDL Number | MFCD02629561 |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.2643 |
| SMILES | C1(OCC)C(CC=C)=CC(=CC=1OC)C=O |
| Synonyms | 3-Allyl-4-ethoxy-5-methoxy-benzaldehyde,
872183-27-2,
3-ALLYL-4-ETHOXY-5-METHOXYBENZALDEHYDE,
4-ethoxy-3-methoxy-5-prop-2-enylbenzaldehyde,
BAS 02892533,
AC1MJW5P,
CTK5F8094,
DTXSID90389770,
ZINC4992638,
ZX-CM016775,
1179AF,
MFCD02629561,
AKOS000290633,
MCULE-2197659390,
AJ-52821,
TR-043751,
ST50267834,
W-9539,
4-ethoxy-3-methoxy-5-(prop-2-en-1-yl)benzaldehyde,
C13H16O3,
CID3144091,
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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