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Home > Boronic Acids > 1187055-94-2
1187055-94-2 | 5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
CAS No: 1187055-94-2 Catalog No: AG008W47 MDL No:MFCD22494826
Product Description
Catalog Number:
AG008W47
Chemical Name:
5-Methyl-2-cyclohexene-1-one-3-boronic acid pinacol ester
CAS Number:
1187055-94-2
Molecular Formula:
C13H21BO3
Molecular Weight:
236.1150
MDL Number:
MFCD22494826
IUPAC Name:
5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C13H21BO3/c1-9-6-10(8-11(15)7-9)14-16-12(2,3)13(4,5)17-14/h8-9H,6-7H2,1-5H3
InChI Key:
KQLGMNXGSZJBMG-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C=C(C1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.118g/mol
Monoisotopic Mass:
236.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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