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77355-01-2 | Benzaldehyde,4,4'-[1,5-pentanediylbis(oxy)]bis-
CAS No: 77355-01-2 Catalog No: AG0053YL MDL No:
Product Description
Catalog Number:
AG0053YL
Chemical Name:
Benzaldehyde,4,4'-[1,5-pentanediylbis(oxy)]bis-
CAS Number:
77355-01-2
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
InChI:
InChI=1S/C19H20O4/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11,14-15H,1-3,12-13H2
InChI Key:
JZWSXMHKNFDAHB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCCCOc1ccc(cc1)C=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 4-[5-(4-Formyl-phen-oxy)pent-oxy]benzaldehyde. | Acta crystallographica. Section E, Structure reports online 20120901 |
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