CID 40475652
PubChem CID
40475652
Structure
Molecular Formula
Status
Non-live
Molecular Weight
228.22 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
1-benzyl-2-oxopyridine-3-carboxylate
InChI=1S/C13H11NO3/c15-12-11(13(16)17)7-4-8-14(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)/p-1
JMUXBAQFXTYJBB-UHFFFAOYSA-M
C1=CC=C(C=C1)CN2C=CC=C(C2=O)C(=O)[O-]
C13H10NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
228.22 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
228.066068181 g/mol
Property Name
Monoisotopic Mass
Property Value
228.066068181 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
373
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
Old substance
CONTENTS