2-(4-Oxopentyl);isoindoline-1,3-dione


Chemical Name: 2-(4-Oxopentyl);isoindoline-1,3-dione
CAS Number: 3197-25-9
Product Number: AG00I623(AGN-PC-0WAZ7C)
Synonyms:
MDL No: MFCD06797717
Molecular Formula: C13H13NO3
Molecular Weight: 231.2472

Identification/Properties


Computed Properties
Molecular Weight:
231.251g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
231.09g/mol
Monoisotopic Mass:
231.09g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
327
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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