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4-Aminophenylacetylene

Catalog Number
ACM14235815-1
Product Name
4-Aminophenylacetylene
Structure
CAS
14235-81-5
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-ethynylaniline
Molecular Weight
117.15g/mol
Molecular Formula
C8H7N
Canonical SMILES
C#CC1=CC=C(C=C1)N
InChI
InChI=1S/C8H7N/c1-2-7-3-5-8(9)6-4-7/h1,3-6H,9H2
InChI Key
JXYITCJMBRETQX-UHFFFAOYSA-N
Complexity
123
Covalently-Bonded Unit Count
1
Exact Mass
117.057849g/mol
Formal Charge
0
Heavy Atom Count
9
Monoisotopic Mass
117.057849g/mol
Rotatable Bond Count
1
XLogP3
1.3
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