CID 40817979
PubChem CID
40817979
Structure
Molecular Formula
Status
Non-live
Molecular Weight
242.25 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxylate
InChI=1S/C14H13NO3/c1-10-5-2-3-6-11(10)9-15-8-4-7-12(13(15)16)14(17)18/h2-8H,9H2,1H3,(H,17,18)/p-1
CBRYYSFIRYCNRY-UHFFFAOYSA-M
CC1=CC=CC=C1CN2C=CC=C(C2=O)C(=O)[O-]
C14H12NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
242.25 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
242.08171824 g/mol
Property Name
Monoisotopic Mass
Property Value
242.08171824 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
406
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