| CAS Number | 855474-84-9 |
| Catalog Number | AG00526X(AGN-PC-00VA85) |
| Chemical Name | 4-(3-Methoxy-phenoxy)-benzaldehyde |
| IUPAC Name | 4-(3-methoxyphenoxy)benzaldehyde |
| InChI | InChI=1S/C14H12O3/c1-16-13-3-2-4-14(9-13)17-12-7-5-11(10-15)6-8-12/h2-10H,1H3 |
| InChI Key | MWRPISIUWVDPPB-UHFFFAOYSA-N |
| MDL Number | MFCD09026268 |
| Molecular Formula | C14H12O3 |
| Molecular Weight | 228.2433 |
| SMILES | O=CC1=CC=C(OC2=CC=CC(OC)=C2)C=C1 |
| Synonyms | 4-(3-Methoxyphenoxy)benzaldehyde,
855474-84-9,
Benzaldehyde,4-(3-methoxyphenoxy)-,
4-(3-METHOXY-PHENOXY)-BENZALDEHYDE,
SCHEMBL1874850,
CTK5F5188,
DTXSID90585634,
MWRPISIUWVDPPB-UHFFFAOYSA-N,
ZINC11801632,
AKOS000260652,
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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 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number