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Home > Other Heterocycles > 1375474-60-4
1375474-60-4 | 3-methyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride, Mixture of isomers
CAS No: 1375474-60-4 Catalog No: AG019TV2 MDL No:MFCD22421951
Product Description
Catalog Number:
AG019TV2
Chemical Name:
3-methyl-3-azabicyclo[3.1.1]heptan-6-one hydrochloride, Mixture of isomers
CAS Number:
1375474-60-4
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
MDL Number:
MFCD22421951
IUPAC Name:
3-methyl-3-azabicyclo[3.1.1]heptan-6-one;hydrochloride
InChI:
InChI=1S/C7H11NO.ClH/c1-8-3-5-2-6(4-8)7(5)9;/h5-6H,2-4H2,1H3;1H
InChI Key:
XIICHVKSYUCVAN-UHFFFAOYSA-N
SMILES:
CN1CC2CC(C1)C2=O.Cl
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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