CID 29058161
PubChem CID
29058161
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.70 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(E)-3-[2-chloro-6-(2-ethoxyethoxy)phenyl]prop-2-enoate
InChI=1S/C13H15ClO4/c1-2-17-8-9-18-12-5-3-4-11(14)10(12)6-7-13(15)16/h3-7H,2,8-9H2,1H3,(H,15,16)/p-1/b7-6+
LSJCUNOUHPGNPO-VOTSOKGWSA-M
CCOCCOC1=C(C(=CC=C1)Cl)/C=C/C(=O)[O-]
C13H14ClO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.70 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
269.0580616 g/mol
Property Name
Monoisotopic Mass
Property Value
269.0580616 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
275
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