CID 27351526
PubChem CID
27351526
Structure
Molecular Formula
Status
Non-live
Molecular Weight
171.24 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetate
InChI=1S/C9H17NO2/c1-7-3-8(2)5-10(4-7)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+
WCQUMQKXPXSKSM-OCAPTIKFSA-N
C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)[O-])C
C9H17NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
171.24 g/mol
Property Name
XLogP3-AA
Property Value
-0.1
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
1
Property Name
Exact Mass
Property Value
171.125928785 g/mol
Property Name
Monoisotopic Mass
Property Value
171.125928785 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
154
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
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CONTENTS