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189620-04-0 | Benzene, 1,1'-methylenebis[2-ethynyl-
CAS No: 189620-04-0 Catalog No: AG002DSP MDL No:
Product Description
Catalog Number:
AG002DSP
Chemical Name:
Benzene, 1,1'-methylenebis[2-ethynyl-
CAS Number:
189620-04-0
Molecular Formula:
C17H12
Molecular Weight:
216.2772
IUPAC Name:
1-ethynyl-2-[(2-ethynylphenyl)methyl]benzene
InChI:
InChI=1S/C17H12/c1-3-14-9-5-7-11-16(14)13-17-12-8-6-10-15(17)4-2/h1-2,5-12H,13H2
InChI Key:
OHKRCDYXFBIKFX-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1Cc1ccccc1C#C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.094g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.283g/mol
Monoisotopic Mass:
216.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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