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140468-93-5 | 1,3-Diazatricyclo[5.2.0.02,4]nonane (9CI)
CAS No: 140468-93-5 Catalog No: AG001CHF MDL No:
Product Description
Catalog Number:
AG001CHF
Chemical Name:
1,3-Diazatricyclo[5.2.0.02,4]nonane (9CI)
CAS Number:
140468-93-5
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
IUPAC Name:
1,3-diazatricyclo[5.2.0.02,4]nonane
InChI:
InChI=1S/C7H12N2/c1-2-6-7(8-6)9-4-3-5(1)9/h5-8H,1-4H2
InChI Key:
VFQJQHCEGSBQON-UHFFFAOYSA-N
SMILES:
C1CC2CCN2C2C1N2
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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