CID 39384447
PubChem CID
39384447
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.3 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2R)-3-[4-(2,3-dimethylphenoxy)phenyl]-2-methylpropanoate
InChI=1S/C18H20O3/c1-12-5-4-6-17(14(12)3)21-16-9-7-15(8-10-16)11-13(2)18(19)20/h4-10,13H,11H2,1-3H3,(H,19,20)/p-1/t13-/m1/s1
OUACPPJRLZMFEE-CYBMUJFWSA-M
CC1=C(C(=CC=C1)OC2=CC=C(C=C2)C[C@@H](C)C(=O)[O-])C
C18H19O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
283.3 g/mol
Property Name
XLogP3-AA
Property Value
5.2
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
4
Property Name
Exact Mass
Property Value
283.133419464 g/mol
Property Name
Monoisotopic Mass
Property Value
283.133419464 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
328
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