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825620-94-8 | Benzene, 1,2-bis[[4-(1,1-dimethylethyl)-2-ethynylphenyl]ethynyl]-
CAS No: 825620-94-8 Catalog No: AG004YK6 MDL No:
Product Description
Catalog Number:
AG004YK6
Chemical Name:
Benzene, 1,2-bis[[4-(1,1-dimethylethyl)-2-ethynylphenyl]ethynyl]-
CAS Number:
825620-94-8
Molecular Formula:
C34H30
Molecular Weight:
438.6020
IUPAC Name:
4-tert-butyl-1-[2-[2-[2-(4-tert-butyl-2-ethynylphenyl)ethynyl]phenyl]ethynyl]-2-ethynylbenzene
InChI:
InChI=1S/C34H30/c1-9-25-23-31(33(3,4)5)21-19-29(25)17-15-27-13-11-12-14-28(27)16-18-30-20-22-32(34(6,7)8)24-26(30)10-2/h1-2,11-14,19-24H,3-8H3
InChI Key:
JUONMWBDUNEABF-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1C#Cc1ccccc1C#Cc1ccc(cc1C#C)C(C)(C)C)C(C)(C)C
Properties
Complexity:
852
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.235g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.614g/mol
Monoisotopic Mass:
438.235g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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