| CAS Number | 78725-48-1 |
| Catalog Number | AG008M2K(AGN-PC-00VA87) |
| Chemical Name | 4-(2-Methoxyphenoxy)benzaldehyde |
| IUPAC Name | 4-(2-methoxyphenoxy)benzaldehyde |
| InChI | InChI=1S/C14H12O3/c1-16-13-4-2-3-5-14(13)17-12-8-6-11(10-15)7-9-12/h2-10H,1H3 |
| InChI Key | QPXCFHUYNHWFRY-UHFFFAOYSA-N |
| MDL Number | MFCD07365213 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | COC1=C(OC2=CC=C(C=O)C=C2)C=CC=C1 |
| Synonyms | 4-(2-methoxyphenoxy)benzaldehyde,
78725-48-1,
4-(2-METHOXY-PHENOXY)-BENZALDEHYDE,
SCHEMBL3969737,
CTK5E6046,
DTXSID50585635,
ZINC11962329,
AKOS000260604,
FT-0740623,
4- -BENZALDEHYDE,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.247g/mol |
| Monoisotopic Mass | 228.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number