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40117-63-3

40117-63-3 | 1-Azabicyclo[2.2.2]octane-4-carboxylic acid, hydrochloride (1:1)

CAS No: 40117-63-3 Catalog No: AG0038QY MDL No:MFCD19686936

Product Description

Catalog Number:
AG0038QY
Chemical Name:
1-Azabicyclo[2.2.2]octane-4-carboxylic acid, hydrochloride (1:1)
CAS Number:
40117-63-3
Molecular Formula:
C8H14ClNO2
Molecular Weight:
191.6553
MDL Number:
MFCD19686936
IUPAC Name:
1-azabicyclo[2.2.2]octane-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C8H13NO2.ClH/c10-7(11)8-1-4-9(5-2-8)6-3-8;/h1-6H2,(H,10,11);1H
InChI Key:
JTYXRFSULOZNPH-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCN(CC1)CC2.Cl

Properties

Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.071g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.655g/mol
Monoisotopic Mass:
191.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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