CID 29058120
PubChem CID
29058120
Structure
Molecular Formula
Status
Non-live
Molecular Weight
211.62 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(E)-3-(2-chloro-6-methoxyphenyl)prop-2-enoate
InChI=1S/C10H9ClO3/c1-14-9-4-2-3-8(11)7(9)5-6-10(12)13/h2-6H,1H3,(H,12,13)/p-1/b6-5+
NFLQNEVWKTZCAF-AATRIKPKSA-M
COC1=C(C(=CC=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
CONTENTS