CID 39369419
PubChem CID
39369419
Structure
Molecular Formula
Status
Non-live
Molecular Weight
269.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-methyl-2-[3-(2-methylphenyl)phenoxy]propanoate
InChI=1S/C17H18O3/c1-12-7-4-5-10-15(12)13-8-6-9-14(11-13)20-17(2,3)16(18)19/h4-11H,1-3H3,(H,18,19)/p-1
CQUDJECYYWHASX-UHFFFAOYSA-M
CC1=CC=CC=C1C2=CC(=CC=C2)OC(C)(C)C(=O)[O-]
C17H17O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.31 g/mol
Property Name
XLogP3-AA
Property Value
4.7
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
269.117769400 g/mol
Property Name
Monoisotopic Mass
Property Value
269.117769400 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
332
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