CID 42301897
PubChem CID
42301897
Structure
Molecular Formula
Status
Non-live
Molecular Weight
328.30 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(Z)-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoate
InChI=1S/C17H15NO6/c1-23-16-10-12(5-9-17(19)20)4-8-15(16)24-11-13-2-6-14(7-3-13)18(21)22/h2-10H,11H2,1H3,(H,19,20)/p-1/b9-5-
GSOWZWOXUZXSEN-UITAMQMPSA-M
COC1=C(C=CC(=C1)/C=C\C(=O)[O-])OCC2=CC=C(C=C2)[N+](=O)[O-]
C17H14NO6-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
328.30 g/mol
Property Name
XLogP3
Property Value
3.6
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
5
Property Name
Exact Mass
Property Value
328.08211217 g/mol
Property Name
Monoisotopic Mass
Property Value
328.08211217 g/mol
Property Name
Topological Polar Surface Area
Property Value
104 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
447
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