| CAS Number | 1040033-13-3 |
| Catalog Number | AG01AIP6 |
| Chemical Name | 3,5-dimethyl-4-[(3-methylphenyl)methoxy]benzaldehyde |
| IUPAC Name | 3,5-dimethyl-4-[(3-methylphenyl)methoxy]benzaldehyde |
| InChI | InChI=1S/C17H18O2/c1-12-5-4-6-15(7-12)11-19-17-13(2)8-16(10-18)9-14(17)3/h4-10H,11H2,1-3H3 |
| InChI Key | NLEDJTHLAZRZJT-UHFFFAOYSA-N |
| MDL Number | MFCD12558101 |
| Molecular Formula | C17H18O2 |
| Molecular Weight | 254.3236 |
| SMILES | CC1=CC(COC2=C(C)C=C(C=O)C=C2C)=CC=C1 |
| Synonyms | 3,5-dimethyl-4-[(3-methylphenyl)methoxy]benzaldehyde,
1040033-13-3,
ZINC20362781,
AKOS009114673,
NE25517,
EN300-78629,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.329g/mol |
| Monoisotopic Mass | 254.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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