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Home > Other Heterocycles > 1803587-96-3
1803587-96-3 | 3,9-dioxa-7-azabicyclo[3.3.1]nonane hydrochloride
CAS No: 1803587-96-3 Catalog No: AG01BH5E MDL No:MFCD28139514
Product Description
Catalog Number:
AG01BH5E
Chemical Name:
3,9-dioxa-7-azabicyclo[3.3.1]nonane hydrochloride
CAS Number:
1803587-96-3
Molecular Formula:
C6H12ClNO2
Molecular Weight:
165.6180
MDL Number:
MFCD28139514
IUPAC Name:
3,9-dioxa-7-azabicyclo[3.3.1]nonane;hydrochloride
InChI:
InChI=1S/C6H11NO2.ClH/c1-5-3-8-4-6(9-5)2-7-1;/h5-7H,1-4H2;1H
InChI Key:
QMKGVKGYYPNDLO-UHFFFAOYSA-N
SMILES:
N1CC2COCC(C1)O2.Cl
Properties
Complexity:
97.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.617g/mol
Monoisotopic Mass:
165.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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