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262-38-4 | 1H,4H,6H,8H,11H,13H-[1,2,4,5]Tetrazino[1,2-d:4,5-d']bis[1,2,4,5]dioxadiazine (9CI)
CAS No: 262-38-4 Catalog No: AG002S8Q MDL No:
Product Description
Catalog Number:
AG002S8Q
Chemical Name:
1H,4H,6H,8H,11H,13H-[1,2,4,5]Tetrazino[1,2-d:4,5-d']bis[1,2,4,5]dioxadiazine (9CI)
CAS Number:
262-38-4
Molecular Formula:
C6H12N4O4
Molecular Weight:
204.1839
IUPAC Name:
5,6,12,13-tetraoxa-1,3,8,10-tetrazatricyclo[8.4.0.03,8]tetradecane
InChI:
InChI=1S/C6H12N4O4/c1-7-3-11-13-5-9(7)2-10-6-14-12-4-8(1)10/h1-6H2
InChI Key:
OZUKWYCXDIYAPA-UHFFFAOYSA-N
SMILES:
O1OCN2N(C1)CN1N(C2)COOC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.186g/mol
Monoisotopic Mass:
204.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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