CID 40592002
PubChem CID
40592002
Structure
Molecular Formula
Status
Non-live
Molecular Weight
300.29 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
3-[[2-(3-methoxyphenoxy)acetyl]amino]benzoate
InChI=1S/C16H15NO5/c1-21-13-6-3-7-14(9-13)22-10-15(18)17-12-5-2-4-11(8-12)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)/p-1
CTCJZCWIDNWZDU-UHFFFAOYSA-M
COC1=CC(=CC=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)[O-]
C16H14NO5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
300.29 g/mol
Property Name
XLogP3
Property Value
2.9
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
5
Property Name
Exact Mass
Property Value
300.08719755 g/mol
Property Name
Monoisotopic Mass
Property Value
300.08719755 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.7 A^2
Property Name
Heavy Atom Count
Property Value
22
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
381
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