CID 5377899
PubChem CID
5377899
Structure
Molecular Formula
Status
Non-live
Molecular Weight
137.16 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
methoxy-(2-methylcyclopent-3-en-1-yl)methanolate
InChI=1S/C8H9O2/c1-6-4-3-5-7(6)8(9)10-2/h3-5H,1-2H3/q-5
FEBOFFWVWHCHCZ-UHFFFAOYSA-N
C[C-]1C=C[CH-][C-]1[C-]([O-])OC
C8H9O2-5
Property Name
Property Value
Reference
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
Old substance
CONTENTS