CID 40553376
PubChem CID
40553376
Structure
Molecular Formula
Status
Non-live
Molecular Weight
211.62 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoate
InChI=1S/C10H9ClO3/c1-14-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,1H3,(H,12,13)/p-1/b5-2+
NKLWZACBNHDQFZ-GORDUTHDSA-M
COC1=C(C=C(C=C1)Cl)/C=C/C(=O)[O-]
C10H8ClO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
211.62 g/mol
Property Name
XLogP3-AA
Property Value
3.1
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
2
Property Name
Exact Mass
Property Value
211.0161968 g/mol
Property Name
Monoisotopic Mass
Property Value
211.0161968 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
222
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
Old substance
Old substance
CONTENTS