5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one


Chemical Name: 5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
CAS Number: 1187055-94-2
Product Number: AG008W47(AGN-PC-0WALH1)
Synonyms:
MDL No:
Molecular Formula: C13H21BO3
Molecular Weight: 236.1150

Identification/Properties


Computed Properties
Molecular Weight:
236.118g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
236.158g/mol
Monoisotopic Mass:
236.158g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
355
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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