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Home > Boronic Acids > 221006-68-4
221006-68-4 | 3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CAS No: 221006-68-4 Catalog No: AG00BIB6 MDL No:MFCD18311846
Product Description
Catalog Number:
AG00BIB6
Chemical Name:
3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CAS Number:
221006-68-4
Molecular Formula:
C8H13BO3
Molecular Weight:
167.9980
MDL Number:
MFCD18311846
IUPAC Name:
(3,3-dimethyl-6-oxocyclohexen-1-yl)boronic acid
InChI:
InChI=1S/C8H13BO3/c1-8(2)4-3-7(10)6(5-8)9(11)12/h5,11-12H,3-4H2,1-2H3
InChI Key:
LMARAEULVSDJBH-UHFFFAOYSA-N
SMILES:
OB(C1=CC(C)(C)CCC1=O)O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.999g/mol
Monoisotopic Mass:
168.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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