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Home > Boronic Acids > 1187055-81-7
1187055-81-7 | 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
CAS No: 1187055-81-7 Catalog No: AG008X0M MDL No:MFCD18383337
Product Description
Catalog Number:
AG008X0M
Chemical Name:
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
CAS Number:
1187055-81-7
Molecular Formula:
C12H19BO3
Molecular Weight:
222.0885
MDL Number:
MFCD18383337
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
SMILES:
O=C1CCCC(=C1)B1OC(C(O1)(C)C)(C)C
Properties
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
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