2-(7-Octyn-1-yl)-1h-isoindole-1,3-dione


Chemical Name: 2-(7-Octyn-1-yl)-1h-isoindole-1,3-dione
CAS Number: 17170-26-2
Product Number: AG00ASU5(AGN-PC-0WA57Q)
Synonyms:
MDL No:
Molecular Formula: C16H17NO2
Molecular Weight: 255.3117

Identification/Properties


Computed Properties
Molecular Weight:
255.317g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
255.126g/mol
Monoisotopic Mass:
255.126g/mol
Topological Polar Surface Area:
37.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
369
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:
Danger
UN#:
3077
Hazard Statements:
H302-H319-H410
Precautionary Statements:
P273-P305+P351+P338-P501
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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