CID 51723108
PubChem CID
51723108
Structure
Molecular Formula
Status
Non-live
Molecular Weight
160.23 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(3-methoxy-3-oxopropyl)-(2-methylpropyl)azanium
InChI=1S/C8H17NO2/c1-7(2)6-9-5-4-8(10)11-3/h7,9H,4-6H2,1-3H3/p+1
QLXUBTFTMFEBAD-UHFFFAOYSA-O
CC(C)C[NH2+]CCC(=O)OC
C8H18NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
160.23 g/mol
Property Name
XLogP3-AA
Property Value
1
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
6
Property Name
Exact Mass
Property Value
160.133753817 g/mol
Property Name
Monoisotopic Mass
Property Value
160.133753817 g/mol
Property Name
Topological Polar Surface Area
Property Value
42.9 A^2
Property Name
Heavy Atom Count
Property Value
11
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
113
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
CONTENTS