CID 39369415
PubChem CID
39369415
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2R)-2-[3-(2,5-dimethylphenyl)phenoxy]propanoate
InChI=1S/C17H18O3/c1-11-7-8-12(2)16(9-11)14-5-4-6-15(10-14)20-13(3)17(18)19/h4-10,13H,1-3H3,(H,18,19)/p-1/t13-/m1/s1
UVGVRBMQHWWNLK-CYBMUJFWSA-M
CC1=CC(=C(C=C1)C)C2=CC(=CC=C2)O[C@H](C)C(=O)[O-]
C17H17O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.31 g/mol
Property Name
XLogP3-AA
Property Value
4.9
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
3
Property Name
Exact Mass
Property Value
269.117769400 g/mol
Property Name
Monoisotopic Mass
Property Value
269.117769400 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
323
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
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