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Home > Boronic Acids > 86595-51-9
86595-51-9 | Boronic acid, hexyl-, bis(1,1-dimethylethyl) ester
CAS No: 86595-51-9 Catalog No: AG004LBP MDL No:
Product Description
Catalog Number:
AG004LBP
Chemical Name:
Boronic acid, hexyl-, bis(1,1-dimethylethyl) ester
CAS Number:
86595-51-9
Molecular Formula:
C14H31BO2
Molecular Weight:
242.2057
IUPAC Name:
hexyl-bis[(2-methylpropan-2-yl)oxy]borane
InChI:
InChI=1S/C14H31BO2/c1-8-9-10-11-12-15(16-13(2,3)4)17-14(5,6)7/h8-12H2,1-7H3
InChI Key:
SFOYYTCENMDGDB-UHFFFAOYSA-N
SMILES:
CCCCCCB(OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.242g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.21g/mol
Monoisotopic Mass:
242.242g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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