Home Boronic acids 5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester

5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester

CAS No.:
497959-45-2
Catalog Number:
AG00DDM2
Molecular Formula:
C14H23BO3
Molecular Weight:
250.1416
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$307
- +
5g
97%
In Stock USA
United States
$1119
- +
Product Description
Catalog Number:
AG00DDM2
Chemical Name:
5,5-Dimethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
CAS Number:
497959-45-2
Molecular Formula:
C14H23BO3
Molecular Weight:
250.1416
MDL Number:
MFCD22189452
IUPAC Name:
5,5-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H23BO3/c1-12(2)8-10(7-11(16)9-12)15-17-13(3,4)14(5,6)18-15/h7H,8-9H2,1-6H3
InChI Key:
CHCPOPVEQVWOHT-UHFFFAOYSA-N
SMILES:
O=C1C=C(CC(C1)(C)C)B1OC(C(O1)(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
Properties