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189034-94-4 | Anthracene, 1,4-diethynyl-
CAS No: 189034-94-4 Catalog No: AG002HRA MDL No:
Product Description
Catalog Number:
AG002HRA
Chemical Name:
Anthracene, 1,4-diethynyl-
CAS Number:
189034-94-4
Molecular Formula:
C18H10
Molecular Weight:
226.2720
IUPAC Name:
1,4-diethynylanthracene
InChI:
InChI=1S/C18H10/c1-3-13-9-10-14(4-2)18-12-16-8-6-5-7-15(16)11-17(13)18/h1-2,5-12H
InChI Key:
COPGZQCNAPJRBQ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c2c1cc1ccccc1c2)C#C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.278g/mol
Monoisotopic Mass:
226.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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