| CAS Number | 883515-59-1 |
| Catalog Number | AG01FOFM(AGN-PC-0WC5AM) |
| Chemical Name | 3-(sec-Butyl)-4-propoxybenzaldehyde |
| IUPAC Name | 3-butan-2-yl-4-propoxybenzaldehyde |
| InChI | InChI=1S/C14H20O2/c1-4-8-16-14-7-6-12(10-15)9-13(14)11(3)5-2/h6-7,9-11H,4-5,8H2,1-3H3 |
| InChI Key | QZVZLNORNNMMRE-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.3074 |
| SMILES | CCCOC1=C(C=C(C=C1)C=O)C(C)CC |
| Synonyms | 3-(SEC-BUTYL)-4-PROPOXYBENZALDEHYDE,
883515-59-1,
CTK6E6041,
4-propoxy-3-(sec-butyl)benzaldehyde,
AKOS005291856,
TR-070280,
BB 0262273,
Z-1521,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.312g/mol |
| Monoisotopic Mass | 220.146g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number