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303112-60-9 | 3H,5H-2,6-Methano-1H-imidazo[1,5-c]imidazole (9CI)
CAS No: 303112-60-9 Catalog No: AG002ZMW MDL No:MFCD18818011
Product Description
Catalog Number:
AG002ZMW
Chemical Name:
3H,5H-2,6-Methano-1H-imidazo[1,5-c]imidazole (9CI)
CAS Number:
303112-60-9
Molecular Formula:
C6H9N3
Molecular Weight:
123.1558
MDL Number:
MFCD18818011
IUPAC Name:
1,3,5-triazatricyclo[3.3.1.03,7]non-6-ene
InChI:
InChI=1S/C6H9N3/c1-6-2-8-3-7(1)4-9(6)5-8/h1H,2-5H2
InChI Key:
OIXCAKVUTMBPCK-UHFFFAOYSA-N
SMILES:
C1N2CN3CN1C=C3C2
Properties
Complexity:
187
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:
0
Isotope Atom Count:
0
Molecular Weight:
123.159g/mol
Monoisotopic Mass:
123.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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