CID 40476293
PubChem CID
40476293
Structure
Molecular Formula
Status
Non-live
Molecular Weight
348.3 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
4-[4-(4-carboxylatophenoxy)phenoxy]benzoate
InChI=1S/C20H14O6/c21-19(22)13-1-5-15(6-2-13)25-17-9-11-18(12-10-17)26-16-7-3-14(4-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)/p-2
QVLMBWTVLGOLHI-UHFFFAOYSA-L
C1=CC(=CC=C1C(=O)[O-])OC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)[O-]
C20H12O6-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
348.3 g/mol
Property Name
XLogP3-AA
Property Value
5.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
348.06338810 g/mol
Property Name
Monoisotopic Mass
Property Value
348.06338810 g/mol
Property Name
Topological Polar Surface Area
Property Value
98.7 A^2
Property Name
Heavy Atom Count
Property Value
26
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
414
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
CONTENTS