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Home > Boronic Acids > 219489-09-5
219489-09-5 | 4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);cyclohex-2-enone
CAS No: 219489-09-5 Catalog No: AG003KCO MDL No:MFCD09027074
Product Description
Catalog Number:
AG003KCO
Chemical Name:
4,4-Dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);cyclohex-2-enone
CAS Number:
219489-09-5
Molecular Formula:
C14H23BO3
Molecular Weight:
250.1416
MDL Number:
MFCD09027074
IUPAC Name:
4,4-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H23BO3/c1-12(2)8-7-11(16)10(9-12)15-17-13(3,4)14(5,6)18-15/h9H,7-8H2,1-6H3
InChI Key:
MMYLPQABFZSMCP-UHFFFAOYSA-N
SMILES:
O=C1CCC(C=C1B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.174g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.145g/mol
Monoisotopic Mass:
250.174g/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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