CID 23133359
PubChem CID
23133359
Structure
Molecular Formula
Status
Non-live
Molecular Weight
201.24 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
1-ethyl-3-methyl-2H-imidazole;2-hydroxypropanoate
InChI=1S/C6H12N2.C3H6O3/c1-3-8-5-4-7(2)6-8;1-2(4)3(5)6/h4-5H,3,6H2,1-2H3;2,4H,1H3,(H,5,6)/p-1
OIQGMAAUSGKPEX-UHFFFAOYSA-M
CCN1CN(C=C1)C.CC(C(=O)[O-])O
C9H17N2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
201.24 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
201.12391741 g/mol
Property Name
Monoisotopic Mass
Property Value
201.12391741 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.8 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
152
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
1
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS