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Home > Other Heterocycles > 286-09-9
286-09-9 | 3-azabicyclo[4.1.0]heptane
CAS No: 286-09-9 Catalog No: AG019RHR MDL No:MFCD14581355
Product Description
Catalog Number:
AG019RHR
Chemical Name:
3-azabicyclo[4.1.0]heptane
CAS Number:
286-09-9
Molecular Formula:
C6H11N
Molecular Weight:
97.1582
MDL Number:
MFCD14581355
IUPAC Name:
3-azabicyclo[4.1.0]heptane
InChI:
InChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2
InChI Key:
MZFQJBMXUXJUHF-UHFFFAOYSA-N
SMILES:
N1CCC2C(C1)C2
Properties
Complexity:
80.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
97.161g/mol
Monoisotopic Mass:
97.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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