CID 26248646
PubChem CID
26248646
Structure
Molecular Formula
Status
Non-live
Molecular Weight
169.22 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-[(1R,4S)-2-azoniabicyclo[2.2.1]heptan-2-yl]propanoate
InChI=1S/C9H15NO2/c11-9(12)3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,11,12)/t7-,8+/m0/s1
LHRODJLGQBVMHT-JGVFFNPUSA-N
C1C[C@@H]2C[C@H]1C[NH+]2CCC(=O)[O-]
C9H15NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
169.22 g/mol
Property Name
XLogP3-AA
Property Value
-0.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
169.110278721 g/mol
Property Name
Monoisotopic Mass
Property Value
169.110278721 g/mol
Property Name
Topological Polar Surface Area
Property Value
44.6 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
187
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
2
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS