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4-Ethynyltoluene

Catalog Number
ACM766972
CAS Number
766-97-2
Product Name
4-Ethynyltoluene
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
1-ethynyl-4-methylbenzene
Molecular Weight
116.16g/mol
Molecular Formula
C9H8
Canonical SMILES
CC1=CC=C(C=C1)C#C
InChI
InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3
InChI Key
KSZVOXHGCKKOLL-UHFFFAOYSA-N
Boiling Point
169.0 °C
Complexity
118
Covalently-Bonded Unit Count
1
Exact Mass
116.0626g/mol
Formal Charge
0
Hazard Statements
H301
Heavy Atom Count
9
MeSH Entry Terms
p-ethynyltoluene;pENT cpd
Monoisotopic Mass
116.0626g/mol
Rotatable Bond Count
1
XLogP3
3
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