CID 40076427
PubChem CID
40076427
Structure
Molecular Formula
Status
Non-live
Molecular Weight
262.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
4-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
InChI=1S/C14H17NO4/c1-10-4-5-11(14(17)18)8-12(10)19-9-13(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,18)/p-1
HSQIGGGTSLZLAX-UHFFFAOYSA-M
CC1=C(C=C(C=C1)C(=O)[O-])OCC(=O)N2CCCC2
C14H16NO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
262.28 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
262.10793299 g/mol
Property Name
Monoisotopic Mass
Property Value
262.10793299 g/mol
Property Name
Topological Polar Surface Area
Property Value
69.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
333
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
Old substance
CONTENTS