| CAS Number | 884497-69-2 |
| Catalog Number | AG004GTZ(AGN-PC-0WB4SD) |
| Chemical Name | 4-[1-Methyl-2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde |
| IUPAC Name | 4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxybenzaldehyde |
| InChI | InChI=1S/C17H16O3/c1-12-3-7-15(8-4-12)17(19)13(2)20-16-9-5-14(11-18)6-10-16/h3-11,13H,1-2H3 |
| InChI Key | TVIQMFUFYVSKIE-UHFFFAOYSA-N |
| MDL Number | MFCD03361607 |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.3071 |
| SMILES | C(=O)(C1C=CC(=CC=1)C)C(C)OC1=CC=C(C=C1)C([H])=O |
| Synonyms | 884497-69-2,
4-[1-METHYL-2-(4-METHYLPHENYL)-2-OXOETHOXY]BENZALDEHYDE,
STK358876,
AC1NMCM8,
4-((1-Oxo-1-(p-tolyl)propan-2-yl)oxy)benzaldehyde,
CTK5F9885,
DTXSID30407442,
CHEMBRDG-BB 7313380,
ZX-CM017327,
MFCD03361607,
AKOS003290407,
AKOS017259866,
MCULE-7533874618,
Y-0297,
4-[1-(4-methylphenyl)-1-oxopropan-2-yl]oxybenzaldehyde,
4-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}benzaldehyde,
CID5005164,
4-[1-(4-methylphenyl)-1-oxo-propan-2-yl]oxybenzaldehyde,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.312g/mol |
| Monoisotopic Mass | 268.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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