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CID 5377899

PubChem CID
5377899
Structure
CID 5377899_small.png
Molecular Formula
Status
Non-live
Molecular Weight
137.16 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 5377899.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

methoxy-(2-methylcyclopent-3-en-1-yl)methanolate

2.1.2 InChI

InChI=1S/C8H9O2/c1-6-4-3-5-7(6)8(9)10-2/h3-5H,1-2H3/q-5

2.1.3 InChIKey

FEBOFFWVWHCHCZ-UHFFFAOYSA-N

2.1.4 SMILES

C[C-]1C=C[CH-][C-]1[C-]([O-])OC

2.2 Molecular Formula

C8H9O2-5

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
137.16 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
137.060254526 g/mol
Property Name
Monoisotopic Mass
Property Value
137.060254526 g/mol
Property Name
Topological Polar Surface Area
Property Value
32.3 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
-5
Property Name
Complexity
Property Value
131
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