CID 39870020
PubChem CID
39870020
Structure
Molecular Formula
Status
Non-live
Molecular Weight
132.18 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(4-methoxy-4-oxobutyl)-methylazanium
InChI=1S/C6H13NO2/c1-7-5-3-4-6(8)9-2/h7H,3-5H2,1-2H3/p+1
NCHRVWIOGHJADK-UHFFFAOYSA-O
C[NH2+]CCCC(=O)OC
C6H14NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
132.18 g/mol
Property Name
XLogP3
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
132.102453689 g/mol
Property Name
Monoisotopic Mass
Property Value
132.102453689 g/mol
Property Name
Topological Polar Surface Area
Property Value
42.9 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
83.1
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