CID 42205977
PubChem CID
42205977
Structure
Molecular Formula
Status
Non-live
Molecular Weight
327.3 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(Z)-3-[3-methoxy-2-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enoate
InChI=1S/C19H20O5/c1-14-6-9-16(10-7-14)23-12-13-24-19-15(8-11-18(20)21)4-3-5-17(19)22-2/h3-11H,12-13H2,1-2H3,(H,20,21)/p-1/b11-8-
KEGSZDBZNVEKLD-FLIBITNWSA-M
CC1=CC=C(C=C1)OCCOC2=C(C=CC=C2OC)/C=C\C(=O)[O-]
C19H19O5-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
327.3 g/mol
Property Name
XLogP3-AA
Property Value
4.5
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
7
Property Name
Exact Mass
Property Value
327.12324870 g/mol
Property Name
Monoisotopic Mass
Property Value
327.12324870 g/mol
Property Name
Topological Polar Surface Area
Property Value
67.8 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
395
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
1
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