1-Ethynylpyrene
Catalog Number
ACM34993561-1
CAS
34993-56-1
IUPAC Name
1-ethynylpyrene
Synonyms
1-Pyrenylacetylene
Molecular Weight
226.28
Molecular Formula
C18H10
Product Information
Canonical SMILES
C#CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
InChI Key
VEBUBSLYGRMOSZ-UHFFFAOYSA-N
Boiling Point
410.6 ± 14.0 °C
Melting Point
113 - 115 °C
Purity
0.95
Density
1.23 ± 0.1 g/ml
Appearance
White solid
Storage
-20 °C in the dark
Complexity
373
Exact Mass
226.07825g/mol
Heavy Atom Count
18
MDL Number
MFCD02093933
Monoisotopic Mass
226.07825g/mol
Reaxys Registry Number
2365008
Rotatable Bond Count
1
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