CID 28306972
PubChem CID
28306972
Structure
Molecular Formula
Status
Non-live
Molecular Weight
190.26 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(3-ethoxy-3-oxopropyl)-(3-methoxypropyl)azanium
InChI=1S/C9H19NO3/c1-3-13-9(11)5-7-10-6-4-8-12-2/h10H,3-8H2,1-2H3/p+1
XTIULWPWCRKKBD-UHFFFAOYSA-O
CCOC(=O)CC[NH2+]CCCOC
C9H20NO3+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
190.26 g/mol
Property Name
XLogP3-AA
Property Value
0.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
190.14431850 g/mol
Property Name
Monoisotopic Mass
Property Value
190.14431850 g/mol
Property Name
Topological Polar Surface Area
Property Value
52.1 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
128
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