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CID 26365935

PubChem CID
26365935
Structure
CID 26365935_small.png
Molecular Formula
Status
Non-live
Molecular Weight
228.27 g/mol
Dates
  • Create:
    2009-05-28

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 26365935.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-6-propan-2-ylquinoline-3-carboxylate

2.1.2 InChI

InChI=1S/C14H15NO2/c1-8(2)10-4-5-13-11(6-10)7-12(14(16)17)9(3)15-13/h4-8H,1-3H3,(H,16,17)/p-1

2.1.3 InChIKey

FHYPGKUASSFWLZ-UHFFFAOYSA-M

2.1.4 SMILES

CC1=C(C=C2C=C(C=CC2=N1)C(C)C)C(=O)[O-]

2.2 Molecular Formula

C14H14NO2-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
228.27 g/mol
Property Name
XLogP3-AA
Property Value
3.9
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
228.102453689 g/mol
Property Name
Monoisotopic Mass
Property Value
228.102453689 g/mol
Property Name
Topological Polar Surface Area
Property Value
53 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
284
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