CID 39358106
PubChem CID
39358106
Structure
Molecular Formula
Status
Non-live
Molecular Weight
255.29 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-methyl-2-(3-phenylphenoxy)propanoate
InChI=1S/C16H16O3/c1-16(2,15(17)18)19-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,17,18)/p-1
LFBMGCFKGBTSME-UHFFFAOYSA-M
CC(C)(C(=O)[O-])OC1=CC=CC(=C1)C2=CC=CC=C2
C16H15O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
255.29 g/mol
Property Name
XLogP3
Property Value
4.4
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
300
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
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