CID 45399217
PubChem CID
45399217
Structure
Molecular Formula
Status
Non-live
Molecular Weight
421.4 g/mol
Dates
- Create:2010-05-24
Chemical Structure Depiction
4-[2-[4-(4-methylphenoxy)anilino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid
InChI=1S/C23H19NO7/c1-14-2-7-17(8-3-14)31-18-9-5-16(6-10-18)24-21(25)13-30-20-11-4-15(22(26)27)12-19(20)23(28)29/h2-12H,13H2,1H3,(H,24,25)(H,26,27)(H,28,29)
GMVQUAOQNYHUAE-UHFFFAOYSA-N
CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)C(=O)O)C(=O)O
C23H19NO7
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
421.4 g/mol
Property Name
XLogP3-AA
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
421.11615195 g/mol
Property Name
Monoisotopic Mass
Property Value
421.11615195 g/mol
Property Name
Topological Polar Surface Area
Property Value
122 A^2
Property Name
Heavy Atom Count
Property Value
31
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
623
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