AG008X0M

1187055-81-7 | 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone

AG008X0M

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CAS Number	1187055-81-7
Catalog Number	AG008X0M(AGN-PC-0WAIWB)
Chemical Name	3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
InChI	InChI=1S/C12H19BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h8H,5-7H2,1-4H3
InChI Key	GFYZIQQOKLUEAW-UHFFFAOYSA-N
MDL Number	MFCD18383337
Molecular Formula	C12H19BO3
Molecular Weight	222.0885
SMILES	CC1(C)OB(OC1(C)C)C1=CC(=O)CCC1
Synonyms	1187055-81-7, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEX-2-ENONE, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one, 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone, (3-Oxocyclohex-1-en-1-yl)boronic acid pinacol ester, 2-?CYCLOHEXENE-?1-?ONE-?3-?BORONIC ACID PINACOL ESTER, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one, GFYZIQQOKLUEAW-UHFFFAOYSA-N, SCHEMBL1303688, DTXSID00726910, MFCD18383337, AKOS025146542, ZINC200361964, KS-000007W1, AS-42274, CS-0054910, C-0077, 2-Cyclohexene-1-one-3-boronic acid pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-2-cyclohexene-1-one, ACN-038444,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.143g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.091g/mol
Monoisotopic Mass	222.143g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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