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Home > Boronic Acids > 497959-45-2
497959-45-2 | 5,5-DiMethylcyclohex-2-en-1-one-3-boronic acid pinacol ester
CAS No: 497959-45-2 Catalog No: AG00DDM2 MDL No:MFCD22189452
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
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