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112498-53-0 | 1H-1,4,7-Triazonine-1-carboxaldehyde, octahydro- (9CI)
CAS No: 112498-53-0 Catalog No: AG009Q8L MDL No:
Product Description
Catalog Number:
AG009Q8L
Chemical Name:
1H-1,4,7-Triazonine-1-carboxaldehyde, octahydro- (9CI)
CAS Number:
112498-53-0
IUPAC Name:
1,4,7-triazonane-1-carbaldehyde
InChI:
InChI=1S/C7H15N3O/c11-7-10-5-3-8-1-2-9-4-6-10/h7-9H,1-6H2
InChI Key:
HCJQGIXHIGWWEL-UHFFFAOYSA-N
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.122g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.217g/mol
Monoisotopic Mass:
157.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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