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Home > Other Heterocycles > 97692-53-0
97692-53-0 | 2,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane(9CI)
CAS No: 97692-53-0 Catalog No: AG00H809 MDL No:
Product Description
Catalog Number:
AG00H809
Chemical Name:
2,8,10,16,17,23-Hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane(9CI)
CAS Number:
97692-53-0
Molecular Formula:
C12H27B2N3O6
Molecular Weight:
330.9813
IUPAC Name:
2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane
InChI:
InChI=1S/C12H27B2N3O6/c1-7-18-13-20-9-3-16-5-11-22-14(19-8-2-15-1)23-12-6-17-4-10-21-13/h15-17H,1-12H2
InChI Key:
WFNKMUAZGYABQK-UHFFFAOYSA-N
SMILES:
N1CCOB2OCCNCCOB(OCC1)OCCNCCO2
EC Number:
307-705-5
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.209g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.983g/mol
Monoisotopic Mass:
331.209g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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