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139494-45-4 | 2-Pentanone, 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 139494-45-4 Catalog No: AG001B4L MDL No:
Product Description
Catalog Number:
AG001B4L
Chemical Name:
2-Pentanone, 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
139494-45-4
Molecular Formula:
C12H23BO3
Molecular Weight:
226.1202
IUPAC Name:
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-one
InChI:
InChI=1S/C12H23BO3/c1-9(7-10(2)14)8-13-15-11(3,4)12(5,6)16-13/h9H,7-8H2,1-6H3
InChI Key:
RMGRBBWGKGXTRJ-UHFFFAOYSA-N
SMILES:
CC(CB1OC(C(O1)(C)C)(C)C)CC(=O)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.123g/mol
Monoisotopic Mass:
226.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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