CID 15410704
PubChem CID
15410704
Structure
Molecular Formula
Status
Non-live
Molecular Weight
279.3 g/mol
Dates
- Create:2007-02-09
Chemical Structure Depiction
(Z)-3-(3-ethoxy-4-methoxyphenyl)-3-phenylprop-2-enenitrile
InChI=1S/C18H17NO2/c1-3-21-18-13-15(9-10-17(18)20-2)16(11-12-19)14-7-5-4-6-8-14/h4-11,13H,3H2,1-2H3/b16-11-
XCYKZTIDYCPZDN-WJDWOHSUSA-N
CCOC1=C(C=CC(=C1)/C(=C\C#N)/C2=CC=CC=C2)OC
C18H17NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
279.3 g/mol
Property Name
XLogP3-AA
Property Value
4.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
279.125928785 g/mol
Property Name
Monoisotopic Mass
Property Value
279.125928785 g/mol
Property Name
Topological Polar Surface Area
Property Value
42.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
389
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