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89561-48-8 | 1,3,2-Dioxaborinane, 5-methyl-2-(1-methylethyl)-5-phenyl-
CAS No: 89561-48-8 Catalog No: AG003Y9B MDL No:
Product Description
Catalog Number:
AG003Y9B
Chemical Name:
1,3,2-Dioxaborinane, 5-methyl-2-(1-methylethyl)-5-phenyl-
CAS Number:
89561-48-8
Molecular Formula:
C13H19BO2
Molecular Weight:
218.0998
IUPAC Name:
5-methyl-5-phenyl-2-propan-2-yl-1,3,2-dioxaborinane
InChI:
InChI=1S/C13H19BO2/c1-11(2)14-15-9-13(3,10-16-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChI Key:
KBHRIUCEAMSLSW-UHFFFAOYSA-N
SMILES:
CC(B1OCC(CO1)(C)c1ccccc1)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.103g/mol
Monoisotopic Mass:
218.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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