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89250-92-0 | 1,3,7-Triazabicyclo[3.3.1]nonane-3,7-dicarboxaldehyde, 5-nitro-
CAS No: 89250-92-0 Catalog No: AG004305 MDL No:
Product Description
Catalog Number:
AG004305
Chemical Name:
1,3,7-Triazabicyclo[3.3.1]nonane-3,7-dicarboxaldehyde, 5-nitro-
CAS Number:
89250-92-0
Molecular Formula:
C8H12N4O4
Molecular Weight:
228.2053
IUPAC Name:
5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-dicarbaldehyde
InChI:
InChI=1S/C8H12N4O4/c13-6-10-2-8(12(15)16)1-9(4-10)5-11(3-8)7-14/h6-7H,1-5H2
InChI Key:
KQFQILICGJXXEW-UHFFFAOYSA-N
SMILES:
O=CN1CN2CN(CC(C1)(C2)[N+](=O)[O-])C=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.208g/mol
Monoisotopic Mass:
228.086g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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