CID 42181400
PubChem CID
42181400
Structure
Molecular Formula
Status
Non-live
Molecular Weight
293.30 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxylate
InChI=1S/C17H14N2O3/c1-22-14-9-7-12(8-10-14)16-11-15(17(20)21)18-19(16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)/p-1
MMTUBBDWYWRICU-UHFFFAOYSA-M
COC1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)[O-]
C17H13N2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
293.30 g/mol
Property Name
XLogP3-AA
Property Value
4
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
3
Property Name
Exact Mass
Property Value
293.09261728 g/mol
Property Name
Monoisotopic Mass
Property Value
293.09261728 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.2 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
371
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