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Home > Other Heterocycles > 81382-23-2
81382-23-2 | 4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane-3,7-dione
CAS No: 81382-23-2 Catalog No: AG0052PS MDL No:
Product Description
Catalog Number:
AG0052PS
Chemical Name:
4,6,11-trioxa-1-aza-5-borabicyclo[3.3.3]undecane-3,7-dione
CAS Number:
81382-23-2
Molecular Formula:
C6H8BNO5
Molecular Weight:
184.9424
IUPAC Name:
2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane-3,7-dione
InChI:
InChI=1S/C6H8BNO5/c9-5-3-8-1-2-11-7(12-5)13-6(10)4-8/h1-4H2
InChI Key:
OOIMESPPTXXGNQ-UHFFFAOYSA-N
SMILES:
O=C1CN2CCOB(O1)OC(=O)C2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.942g/mol
Monoisotopic Mass:
185.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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