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Home > Other Heterocycles > 1000269-71-5
1000269-71-5 | 5,8-DIOXA-2,11-DIAZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIENE
CAS No: 1000269-71-5 Catalog No: AG0000BS MDL No:
Product Description
Catalog Number:
AG0000BS
Chemical Name:
5,8-DIOXA-2,11-DIAZABICYCLO[10.3.1]HEXADECA-1(16),12,14-TRIENE
CAS Number:
1000269-71-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
5,8-dioxa-2,11-diazabicyclo[10.3.1]hexadeca-1(16),12,14-triene
InChI:
InChI=1S/C12H18N2O2/c1-2-11-10-12(3-1)14-5-7-16-9-8-15-6-4-13-11/h1-3,10,13-14H,4-9H2
InChI Key:
ASUWJRRMTQDKFB-UHFFFAOYSA-N
SMILES:
C1OCCOCCNc2cc(NC1)ccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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