CID 25764690
PubChem CID
25764690
Structure
Molecular Formula
Status
Non-live
Molecular Weight
298.31 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
3-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]benzoate
InChI=1S/C17H17NO4/c1-11-5-3-4-6-15(11)22-10-16(19)18-14-8-7-13(17(20)21)9-12(14)2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1
RNWUATYVISQGOP-UHFFFAOYSA-M
CC1=CC=CC=C1OCC(=O)NC2=C(C=C(C=C2)C(=O)[O-])C
C17H16NO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
298.31 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
298.10793299 g/mol
Property Name
Monoisotopic Mass
Property Value
298.10793299 g/mol
Property Name
Topological Polar Surface Area
Property Value
78.5 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
393
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
CONTENTS