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CID 39346414

PubChem CID
39346414
Structure
CID 39346414_small.png
Molecular Formula
Status
Non-live
Molecular Weight
241.26 g/mol
Dates
  • Create:
    2009-05-29

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 39346414.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-2-(3-phenylphenoxy)propanoate

2.1.2 InChI

InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3,(H,16,17)/p-1/t11-/m1/s1

2.1.3 InChIKey

TYLSLBBNQFQBKW-LLVKDONJSA-M

2.1.4 SMILES

C[C@H](C(=O)[O-])OC1=CC=CC(=C1)C2=CC=CC=C2

2.2 Molecular Formula

C15H13O3-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
241.26 g/mol
Property Name
XLogP3
Property Value
4.2
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
241.086469272 g/mol
Property Name
Monoisotopic Mass
Property Value
241.086469272 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
265
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

5 Information Sources

CONTENTS