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Home > Boronic Acids > 2096341-50-1
2096341-50-1 | 3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
CAS No: 2096341-50-1 Catalog No: AG01EHH7 MDL No:MFCD20441816
Product Description
Catalog Number:
AG01EHH7
Chemical Name:
3,3-Dimethyl-2,4-dihydro-1,5-benzodioxepine-6-boronic acid
CAS Number:
2096341-50-1
MDL Number:
MFCD20441816
IUPAC Name:
(3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-6-yl)boronic acid
InChI:
InChI=1S/C11H15BO4/c1-11(2)6-15-9-5-3-4-8(12(13)14)10(9)16-7-11/h3-5,13-14H,6-7H2,1-2H3
InChI Key:
KNSGTUKCVUWKKJ-UHFFFAOYSA-N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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