CID 28195534
PubChem CID
28195534
Structure
Molecular Formula
Status
Non-live
Molecular Weight
287.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
4-methoxy-3-[(4-methoxyphenyl)methoxy]benzoate
InChI=1S/C16H16O5/c1-19-13-6-3-11(4-7-13)10-21-15-9-12(16(17)18)5-8-14(15)20-2/h3-9H,10H2,1-2H3,(H,17,18)/p-1
MEIXINRODAYNSE-UHFFFAOYSA-M
COC1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)[O-])OC
C16H15O5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
287.29 g/mol
Property Name
XLogP3
Property Value
3.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
287.09194857 g/mol
Property Name
Monoisotopic Mass
Property Value
287.09194857 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.8 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
319
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