CID 28307065
PubChem CID
28307065
Structure
Molecular Formula
Status
Non-live
Molecular Weight
146.21 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3-methoxy-3-oxopropyl)-propan-2-ylazanium
InChI=1S/C7H15NO2/c1-6(2)8-5-4-7(9)10-3/h6,8H,4-5H2,1-3H3/p+1
CDMLINZNKOVCCN-UHFFFAOYSA-O
CC(C)[NH2+]CCC(=O)OC
C7H16NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
146.21 g/mol
Property Name
XLogP3-AA
Property Value
0.4
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
146.118103753 g/mol
Property Name
Monoisotopic Mass
Property Value
146.118103753 g/mol
Property Name
Topological Polar Surface Area
Property Value
42.9 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
102
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