Compound Summary for: CID 5362606

Molecular Formula: C10H11NaO4   Molecular Weight: 218.181709   InChIKey: SKORRGYRKQDXRS-UHFFFAOYSA-M
Compound Information
CID 5362606
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 218.181709 [g/mol]
Molecular FormulaC10H11NaO4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass218.055503
MonoIsotopic Mass218.055503
Topological Polar Surface Area58.6
Heavy Atom Count15
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namesodium;2-(4-methoxyphenoxy)propanoate
InChIInChI=1S/C10H12O4.Na/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
InChIKeySKORRGYRKQDXRS-UHFFFAOYSA-M
Canonical SMILESCC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]
Isomeric SMILESCC(C(=O)[O-])OC1=CC=C(C=C1)OC.[Na+]
Old Version Substance Information