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96964-48-6 | Benzaldehyde, 2-(8-phenyl-1,7-octadiynyl)-
CAS No: 96964-48-6 Catalog No: AG005SGN MDL No:
Product Description
Catalog Number:
AG005SGN
Chemical Name:
Benzaldehyde, 2-(8-phenyl-1,7-octadiynyl)-
CAS Number:
96964-48-6
Molecular Formula:
C21H18O
Molecular Weight:
286.3670
IUPAC Name:
2-(8-phenylocta-1,7-diynyl)benzaldehyde
InChI:
InChI=1S/C21H18O/c22-18-21-17-11-10-16-20(21)15-9-4-2-1-3-6-12-19-13-7-5-8-14-19/h5,7-8,10-11,13-14,16-18H,1-4H2
InChI Key:
NVJZRNRQROGLNZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1C#CCCCCC#Cc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.374g/mol
Monoisotopic Mass:
286.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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