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823227-78-7 | Benzonitrile, 2-[[2-[[2-(hydroxymethyl)phenyl]ethynyl]phenyl]ethynyl]-
CAS No: 823227-78-7 Catalog No: AG005E5T MDL No:
Product Description
Catalog Number:
AG005E5T
Chemical Name:
Benzonitrile, 2-[[2-[[2-(hydroxymethyl)phenyl]ethynyl]phenyl]ethynyl]-
CAS Number:
823227-78-7
Molecular Formula:
C24H15NO
Molecular Weight:
333.3820
IUPAC Name:
2-[2-[2-[2-[2-(hydroxymethyl)phenyl]ethynyl]phenyl]ethynyl]benzonitrile
InChI:
InChI=1S/C24H15NO/c25-17-23-11-5-3-9-21(23)15-13-19-7-1-2-8-20(19)14-16-22-10-4-6-12-24(22)18-26/h1-12,26H,18H2
InChI Key:
FXTUEMAWOYGWJM-UHFFFAOYSA-N
SMILES:
OCc1ccccc1C#Cc1ccccc1C#Cc1ccccc1C#N
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.39g/mol
Monoisotopic Mass:
333.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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