CID 51683646
PubChem CID
51683646
Structure
Molecular Formula
Status
Non-live
Molecular Weight
174.26 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
(3-ethoxy-3-oxopropyl)-methyl-propan-2-ylazanium
InChI=1S/C9H19NO2/c1-5-12-9(11)6-7-10(4)8(2)3/h8H,5-7H2,1-4H3/p+1
VQJJKSUALOTQTL-UHFFFAOYSA-O
CCOC(=O)CC[NH+](C)C(C)C
C9H20NO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
174.26 g/mol
Property Name
XLogP3-AA
Property Value
1.3
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
6
Property Name
Exact Mass
Property Value
174.149403881 g/mol
Property Name
Monoisotopic Mass
Property Value
174.149403881 g/mol
Property Name
Topological Polar Surface Area
Property Value
30.7 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
134
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