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123292-74-0 | 2,5,8-Triazatetracyclo[4.3.0.03,9.04,7]nonane (9CI)
CAS No: 123292-74-0 Catalog No: AG000KA7 MDL No:MFCD28956846
Product Description
Catalog Number:
AG000KA7
Chemical Name:
2,5,8-Triazatetracyclo[4.3.0.03,9.04,7]nonane (9CI)
CAS Number:
123292-74-0
Molecular Formula:
C6H9N3
Molecular Weight:
123.1558
MDL Number:
MFCD28956846
IUPAC Name:
2,5,8-triazatetracyclo[4.3.0.03,9.04,7]nonane
InChI:
InChI=1S/C6H9N3/c7-1-2-6-4(8-2)3(7)5(1)9-6/h1-9H
InChI Key:
OGLZJSXEBBTSCV-UHFFFAOYSA-N
SMILES:
N1C2C3C1C1NC2C1N3
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.08g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
123.159g/mol
Monoisotopic Mass:
123.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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