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140477-37-8 | Benzene, 1,2,4,5-tetramethyl-3,6-bis(2-phenylethynyl)-
CAS No: 140477-37-8 Catalog No: AG001CI2 MDL No:
Product Description
Catalog Number:
AG001CI2
Chemical Name:
Benzene, 1,2,4,5-tetramethyl-3,6-bis(2-phenylethynyl)-
CAS Number:
140477-37-8
Molecular Formula:
C26H22
Molecular Weight:
334.4529
IUPAC Name:
1,2,4,5-tetramethyl-3,6-bis(2-phenylethynyl)benzene
InChI:
InChI=1S/C26H22/c1-19-20(2)26(18-16-24-13-9-6-10-14-24)22(4)21(3)25(19)17-15-23-11-7-5-8-12-23/h5-14H,1-4H3
InChI Key:
WQPGMTADYQNLKO-UHFFFAOYSA-N
SMILES:
Cc1c(C#Cc2ccccc2)c(C)c(c(c1C)C#Cc1ccccc1)C
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.172g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.462g/mol
Monoisotopic Mass:
334.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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