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CID 51887877

PubChem CID
51887877
Structure
CID 51887877_small.png
Molecular Formula
Status
Non-live
Molecular Weight
256.23 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51887877.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(2-oxo-3H-indol-1-yl)methyl]furan-2-carboxylate

2.1.2 InChI

InChI=1S/C14H11NO4/c16-12-7-9-3-1-2-4-11(9)15(12)8-10-5-6-19-13(10)14(17)18/h1-6H,7-8H2,(H,17,18)/p-1

2.1.3 InChIKey

VOWVIUIGYGGTCY-UHFFFAOYSA-M

2.1.4 SMILES

C1C2=CC=CC=C2N(C1=O)CC3=C(OC=C3)C(=O)[O-]

2.2 Molecular Formula

C14H10NO4-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
256.23 g/mol
Property Name
XLogP3-AA
Property Value
2
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
256.06098280 g/mol
Property Name
Monoisotopic Mass
Property Value
256.06098280 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
378
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

5 Information Sources

CONTENTS