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89579-21-5 | Benzaldehyde, 2,2'-[1,5-pentanediylbis(oxy)]bis-
CAS No: 89579-21-5 Catalog No: AG003Z8R MDL No:
Product Description
Catalog Number:
AG003Z8R
Chemical Name:
Benzaldehyde, 2,2'-[1,5-pentanediylbis(oxy)]bis-
CAS Number:
89579-21-5
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
2-[5-(2-formylphenoxy)pentoxy]benzaldehyde
InChI:
InChI=1S/C19H20O4/c20-14-16-8-2-4-10-18(16)22-12-6-1-7-13-23-19-11-5-3-9-17(19)15-21/h2-5,8-11,14-15H,1,6-7,12-13H2
InChI Key:
QLJVILWLBUGBOX-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCCCCOc1ccccc1C=O
Properties
Complexity:
312
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
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