CID 39379270
PubChem CID
39379270
Structure
Molecular Formula
Status
Non-live
Molecular Weight
278.31 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
2-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-yl]acetate
InChI=1S/C13H13NO4S/c1-17-8-3-4-10(18-2)9(5-8)13-11(6-12(15)16)19-7-14-13/h3-5,7H,6H2,1-2H3,(H,15,16)/p-1
HOPGKWGXGRPDIE-UHFFFAOYSA-M
COC1=CC(=C(C=C1)OC)C2=C(SC=N2)CC(=O)[O-]
C13H12NO4S-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.31 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
278.04870404 g/mol
Property Name
Monoisotopic Mass
Property Value
278.04870404 g/mol
Property Name
Topological Polar Surface Area
Property Value
99.7 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
310
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