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832744-37-3 | Benzene, 1-(phenylethynyl)-3-[[4-(phenylethynyl)phenyl]ethynyl]-
CAS No: 832744-37-3 Catalog No: AG0055VQ MDL No:
Product Description
Catalog Number:
AG0055VQ
Chemical Name:
Benzene, 1-(phenylethynyl)-3-[[4-(phenylethynyl)phenyl]ethynyl]-
CAS Number:
832744-37-3
Molecular Formula:
C30H18
Molecular Weight:
378.4639
IUPAC Name:
1-(2-phenylethynyl)-3-[2-[4-(2-phenylethynyl)phenyl]ethynyl]benzene
InChI:
InChI=1S/C30H18/c1-3-8-25(9-4-1)14-15-27-16-18-28(19-17-27)21-23-30-13-7-12-29(24-30)22-20-26-10-5-2-6-11-26/h1-13,16-19,24H
InChI Key:
QSZJPNZZKLGIRX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C#Cc1ccc(cc1)C#Cc1cccc(c1)C#Cc1ccccc1
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.474g/mol
Monoisotopic Mass:
378.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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