CID 28804839
PubChem CID
28804839
Structure
Molecular Formula
Status
Non-live
Molecular Weight
216.19 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
2-(5-oxido-1-phenylpyrazol-3-yl)acetate
InChI=1S/C11H10N2O3/c14-10-6-8(7-11(15)16)12-13(10)9-4-2-1-3-5-9/h1-6,14H,7H2,(H,15,16)/p-2
LCWPVTQTTKVOMV-UHFFFAOYSA-L
C1=CC=C(C=C1)N2C(=CC(=N2)CC(=O)[O-])[O-]
C11H8N2O3-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
216.19 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
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
216.05349212 g/mol
Property Name
Monoisotopic Mass
Property Value
216.05349212 g/mol
Property Name
Topological Polar Surface Area
Property Value
81 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
248
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
Old substance
CONTENTS