| CAS Number | 267898-03-3 |
| Catalog Number | AG01A806 |
| Chemical Name | 4-Methoxy-3-((2-methylallyl)oxy)benzaldehyde |
| IUPAC Name | 4-methoxy-3-(2-methylprop-2-enoxy)benzaldehyde |
| InChI | InChI=1S/C12H14O3/c1-9(2)8-15-12-6-10(7-13)4-5-11(12)14-3/h4-7H,1,8H2,2-3H3 |
| InChI Key | XNURPTVOCKGBOJ-UHFFFAOYSA-N |
| MDL Number | MFCD09947572 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | COC1=C(OCC(C)=C)C=C(C=O)C=C1 |
| Synonyms | 4-methoxy-3-[(2-methylprop-2-en-1-yl)oxy]benzaldehyde,
267898-03-3,
4-Methoxy-3-((2-methylallyl)oxy)benzaldehyde,
EN300-60322,
AC1LD0FK,
AC1Q475D,
benzaldehyde, 4-methoxy-3-[(2-methyl-2-propenyl)oxy]-,
CTK7A7352,
ZINC19512050,
AKOS000192496,
NE27994,
3-(2-Methylallyloxy)-4-methoxybenzaldehyde,
4-methoxy-3-(2-methylprop-2-enoxy)benzaldehyde,
4-methoxy-3-[(2-methylprop-2-enyl)oxy]benzaldehyde, AldrichCPR,
InChI=1/C12H14O3/c1-9(2)8-15-12-6-10(7-13)4-5-11(12)14-3/h4-7H,1,8H2,2-3H,
CID640328,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number