4-(Hexyloxy)benzaldehyde - CAS 5736-94-7
Catalog: |
BB029672 |
Product Name: |
4-(Hexyloxy)benzaldehyde |
CAS: |
5736-94-7 |
Synonyms: |
4-hexoxybenzaldehyde |
IUPAC Name: | 4-hexoxybenzaldehyde |
Description: | 4-(Hexyloxy)benzaldehyde (CAS# 5736-94-7) is a useful research chemical. |
Molecular Weight: | 206.28 |
Molecular Formula: | C13H18O2 |
Canonical SMILES: | CCCCCCOC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C13H18O2/c1-2-3-4-5-10-15-13-8-6-12(11-14)7-9-13/h6-9,11H,2-5,10H2,1H3 |
InChI Key: | GWXUVWKBVROFDM-UHFFFAOYSA-N |
Boiling Point: | 319.3 °C at 760 mmHg |
Density: | 0.993 g/cm3 |
MDL: | MFCD00016615 |
LogP: | 3.45820 |
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PMID | Publication Date | Title | Journal |
21583279 | 20090529 | (E)-3-[4-(Hex-yloxy)phen-yl]-1-(4-hydroxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21583159 | 20090514 | (E)-3-[4-(Hex-yloxy)phen-yl]-1-(2-hydroxy-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21582590 | 20090328 | (E)-3-(4-Hexyl-oxyphen-yl)-1-(3-hydroxy-phen-yl)prop-2-en-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.130679813 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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