4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid


Chemical Name: 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid
CAS Number: 64987-82-2
Product Number: AG00ECWG(AGN-PC-00BD2H)
Synonyms:
MDL No:
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518

Identification/Properties


Properties
MP:
157-158°C
BP:
433.582°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
237.255g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
237.1g/mol
Monoisotopic Mass:
237.1g/mol
Topological Polar Surface Area:
74.7A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
362
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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