CID 28306952
PubChem CID
28306952
Structure
Molecular Formula
Status
Non-live
Molecular Weight
174.26 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[(2R)-butan-2-yl]-(3-ethoxy-3-oxopropyl)azanium
InChI=1S/C9H19NO2/c1-4-8(3)10-7-6-9(11)12-5-2/h8,10H,4-7H2,1-3H3/p+1/t8-/m1/s1
QYLZGYGTVCVQMC-MRVPVSSYSA-O
CC[C@@H](C)[NH2+]CCC(=O)OCC
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
7
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
42.9 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
126
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
CONTENTS