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27499-66-7 | Benzene, 1,1'-(1,2-ethanediyl)bis[2-ethynyl-
CAS No: 27499-66-7 Catalog No: AG002TXG MDL No:
Product Description
Catalog Number:
AG002TXG
Chemical Name:
Benzene, 1,1'-(1,2-ethanediyl)bis[2-ethynyl-
CAS Number:
27499-66-7
Molecular Formula:
C18H14
Molecular Weight:
230.3038
IUPAC Name:
1-ethynyl-2-[2-(2-ethynylphenyl)ethyl]benzene
InChI:
InChI=1S/C18H14/c1-3-15-9-5-7-11-17(15)13-14-18-12-8-6-10-16(18)4-2/h1-2,5-12H,13-14H2
InChI Key:
BOJSSPQYHJBKGV-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1CCc1ccccc1C#C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.31g/mol
Monoisotopic Mass:
230.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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