6-ethynylisoquinoline


Chemical Name: 6-ethynylisoquinoline
CAS Number: 1015070-57-1
Product Number: AG0004NB(AGN-PC-0C6KBU)
Synonyms:
MDL No:
Molecular Formula: C11H7N
Molecular Weight: 153.1800

Identification/Properties


Computed Properties
Molecular Weight:
153.184g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
153.058g/mol
Monoisotopic Mass:
153.058g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
200
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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