chempirical

Sodium orthocarbamylphenoxyacetate

C9H8NNaO4CAS 3785-32-8217.16 g/mol

Open in Covalent MOL file
H2NOOO−ONa+
Carboxylic acidEther

Properties

Molecular formula
C9H8NNaO4
Molar mass
217.16 g/mol
Exact mass
217.0351 Da
Melting point
212–215 °C
logP
0.65Crippen estimate
Polar surface area
90.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
3785-32-8
SMILES
NC(=O)c1ccccc1OCC([O-])=O.[Na+]
InChIKey
ZDMCVSJMDXZOQA-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4.Na/c10-9(13)6-3-1-2-4-7(6)14-5-8(11)12;/h1-4H,5H2,(H2,10,13)(H,11,12);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Acetic acid, 2-[2-(aminocarbonyl)phenoxy]-, sodium salt (1:1)
  • Acetic acid, (o-carbamoylphenoxy)-, sodium salt
  • Acetic acid, [2-(aminocarbonyl)phenoxy]-, monosodium salt
  • Salizell
  • Akistin
  • Alagamon
  • Salizell (ampule)
  • Salizell ampules

Work with Sodium orthocarbamylphenoxyacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium phenoxyacetate3598-16-155 % similar 2-(Trifluoromethoxy)benzamide127979-74-247 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-946 % similar Sodium P-chlorophenoxyacetate13730-98-844 % similar Sodium phenylacetate114-70-541 % similar Chromanone491-37-240 % similar Sodium phenylbutyrate1716-12-739 % similar 2-(Carboxymethoxy)benzoic acid635-53-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook