CID 51387536
PubChem CID
51387536
Structure
Molecular Formula
Status
Non-live
Molecular Weight
232.21 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
4-(4-ethoxycarbonyl-1,3-oxazol-2-yl)phenolate
InChI=1S/C12H11NO4/c1-2-16-12(15)10-7-17-11(13-10)8-3-5-9(14)6-4-8/h3-7,14H,2H2,1H3/p-1
XILWQVZWGWQRNU-UHFFFAOYSA-M
CCOC(=O)C1=COC(=N1)C2=CC=C(C=C2)[O-]
C12H10NO4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
232.21 g/mol
Property Name
XLogP3-AA
Property Value
2.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
232.06098280 g/mol
Property Name
Monoisotopic Mass
Property Value
232.06098280 g/mol
Property Name
Topological Polar Surface Area
Property Value
75.4 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
263
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
Old substance
CONTENTS