CID 39387320
PubChem CID
39387320
Structure
Molecular Formula
Status
Non-live
Molecular Weight
285.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-[3-(2-methoxy-5-methylphenyl)phenoxy]propanoate
InChI=1S/C17H18O4/c1-11-7-8-16(20-3)15(9-11)13-5-4-6-14(10-13)21-12(2)17(18)19/h4-10,12H,1-3H3,(H,18,19)/p-1/t12-/m0/s1
STALCTMLKLQTKX-LBPRGKRZSA-M
CC1=CC(=C(C=C1)OC)C2=CC(=CC=C2)O[C@@H](C)C(=O)[O-]
C17H17O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
285.31 g/mol
Property Name
XLogP3-AA
Property Value
4.5
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
285.11268402 g/mol
Property Name
Monoisotopic Mass
Property Value
285.11268402 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
338
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