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823226-99-9 | Benzonitrile, 2-[6-(3-furanyl)-3-hexene-1,5-diynyl]-
CAS No: 823226-99-9 Catalog No: AG005E66 MDL No:
Product Description
Catalog Number:
AG005E66
Chemical Name:
Benzonitrile, 2-[6-(3-furanyl)-3-hexene-1,5-diynyl]-
CAS Number:
823226-99-9
Molecular Formula:
C17H9NO
Molecular Weight:
243.2595
IUPAC Name:
2-[6-(furan-3-yl)hex-3-en-1,5-diynyl]benzonitrile
InChI:
InChI=1S/C17H9NO/c18-13-17-10-6-5-9-16(17)8-4-2-1-3-7-15-11-12-19-14-15/h1-2,5-6,9-12,14H
InChI Key:
ASZVCPRAOSAZDC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#CC=CC#Cc1ccoc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.265g/mol
Monoisotopic Mass:
243.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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