CID 39384402
PubChem CID
39384402
Structure
Molecular Formula
Status
Non-live
Molecular Weight
283.3 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[4-(3,4-dimethylphenyl)phenoxy]-2-methylpropanoate
InChI=1S/C18H20O3/c1-12-5-6-15(11-13(12)2)14-7-9-16(10-8-14)21-18(3,4)17(19)20/h5-11H,1-4H3,(H,19,20)/p-1
RRQBXEYWUNKMCV-UHFFFAOYSA-M
CC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)(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
5.1
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
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
350
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