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Home > Boronic Acids > 141334-24-9
141334-24-9 | Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester
CAS No: 141334-24-9 Catalog No: AG001G85 MDL No:
Product Description
Catalog Number:
AG001G85
Chemical Name:
Boronic acid, bis[5-methyl-2-(1-methylethyl)cyclohexyl] ester
CAS Number:
141334-24-9
Molecular Formula:
C20H39BO2
Molecular Weight:
322.3335
IUPAC Name:
bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]boron
InChI:
InChI=1S/C20H38BO2/c1-13(2)17-9-7-15(5)11-19(17)22-21-23-20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChI Key:
WCLLCTLGCJAZOQ-UHFFFAOYSA-N
SMILES:
CC1CCC(C(C1)OBOC1CC(C)CCC1C(C)C)C(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.296g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.332g/mol
Monoisotopic Mass:
321.296g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
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