CID 39358100
PubChem CID
39358100
Structure
Molecular Formula
Status
Non-live
Molecular Weight
255.29 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-[3-(3-methylphenyl)phenoxy]propanoate
InChI=1S/C16H16O3/c1-11-5-3-6-13(9-11)14-7-4-8-15(10-14)19-12(2)16(17)18/h3-10,12H,1-2H3,(H,17,18)/p-1/t12-/m0/s1
CTRQNHZJBUCIHI-LBPRGKRZSA-M
CC1=CC(=CC=C1)C2=CC(=CC=C2)O[C@@H](C)C(=O)[O-]
C16H15O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
255.29 g/mol
Property Name
XLogP3-AA
Property Value
4.5
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
255.102119336 g/mol
Property Name
Monoisotopic Mass
Property Value
255.102119336 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
297
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