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Home > Boronic Acids > 1536530-95-6
1536530-95-6 | 4,8-dimethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,6,2-dioxazaborocane
CAS No: 1536530-95-6 Catalog No: AG00HY5K MDL No:MFCD28015459
Product Description
Catalog Number:
AG00HY5K
Chemical Name:
4,8-dimethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,6,2-dioxazaborocane
CAS Number:
1536530-95-6
Molecular Formula:
C12H25B2NO4
Molecular Weight:
268.9532
MDL Number:
MFCD28015459
IUPAC Name:
4,8-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C12H25B2NO4/c1-9-7-15-8-10(2)17-13(16-9)14-18-11(3,4)12(5,6)19-14/h9-10,15H,7-8H2,1-6H3
InChI Key:
IGLQSAGCEMHFPH-UHFFFAOYSA-N
SMILES:
CC1CNCC(OB(O1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.197g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.955g/mol
Monoisotopic Mass:
269.197g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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