CID 26597419
PubChem CID
26597419
Structure
Molecular Formula
Status
Non-live
Molecular Weight
292.24 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
1-(4-carboxylato-2-nitrophenyl)piperidine-4-carboxylate
InChI=1S/C13H14N2O6/c16-12(17)8-3-5-14(6-4-8)10-2-1-9(13(18)19)7-11(10)15(20)21/h1-2,7-8H,3-6H2,(H,16,17)(H,18,19)/p-2
DGUKSCGEXKTNIL-UHFFFAOYSA-L
C1CN(CCC1C(=O)[O-])C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]
C13H12N2O6-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
292.24 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
292.06953611 g/mol
Property Name
Monoisotopic Mass
Property Value
292.06953611 g/mol
Property Name
Topological Polar Surface Area
Property Value
129 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
416
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
CONTENTS