| CAS Number | 299936-09-7 |
| Catalog Number | AG00BESU(AGN-PC-0WB4DG) |
| Chemical Name | 3-Methoxy-4-(2-phenoxyethoxy)benzaldehyde |
| IUPAC Name | 3-methoxy-4-(2-phenoxyethoxy)benzaldehyde |
| InChI | InChI=1S/C16H16O4/c1-18-16-11-13(12-17)7-8-15(16)20-10-9-19-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3 |
| InChI Key | LNQIKBGBWCHRFN-UHFFFAOYSA-N |
| MDL Number | MFCD01591730 |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.2958 |
| SMILES | C1(OC)=CC(=CC=C1OCCOC1C=CC=CC=1)C=O |
| Synonyms | 3-methoxy-4-(2-phenoxyethoxy)benzaldehyde,
299936-09-7,
CHEMBRDG-BB 5828083,
AC1MZF1D,
CTK4G4178,
DTXSID20397661,
ZINC2381313,
BBL023244,
MFCD01591730,
STK384989,
AKOS000346237,
MCULE-7913674360,
AJ-34687,
ST50880310,
W-8444,
ZINC02381313,
CID3871477,
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| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.3g/mol |
| Monoisotopic Mass | 272.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number