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Sodium (2-carbamoylphenoxy)acetate

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Name

Sodium (2-carbamoylphenoxy)acetate

EINECS 223-249-9
CAS No. 3785-32-8 Density
Solubility Melting Point 267 °C(lit.)
Formula C9H8NNaO4 Boiling Point 419.1 °C at 760 mmHg
Molecular Weight 217.16 . Flash Point 207.3 °C
Transport Information Appearance white crystalline powder
Safety Risk Codes
Molecular Structure Molecular Structure of 3785-32-8 (Acetic acid,2-[2-(aminocarbonyl)phenoxy]-, sodium salt (1:1)) Hazard Symbols
Synonyms

Aceticacid, (o-carbamoylphenoxy)-, sodium salt (6CI,7CI,8CI);Acetic acid,[2-(aminocarbonyl)phenoxy]-, monosodium salt (9CI);Akistin;Alagamon;Salizell;Salizell (ampule);Salizell ampules;Sodiumorthocarbamylphenoxyacetate;

 

Sodium (2-carbamoylphenoxy)acetate Specification

The Sodium (2-carbamoylphenoxy)acetate, with cas registry number 3785-32-8, has the systematic name of sodium (2-carbamoylphenoxy)acetate. And its IUPAC name is sodium 2-(2-carbamoylphenoxy)acetate. What's more, its related registry number is 25395-22-6 (Parent).

Physical properties about this chemical are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.84 Å2; (13)Flash Point: 207.3 °C; (14)Enthalpy of Vaporization: 70.93 kJ/mol; (15)Boiling Point: 419.1 °C at 760 mmHg; (16)Vapour Pressure: 8.94E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: [Na+].[O-]C(=O)COc1ccccc1C(=O)N
(2)InChI: InChI=1/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);/q;+1/p-1
(3)InChIKey: OEQSACUVTKYXIR-REWHXWOFAZ
(4)Std. 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);/q;+1/p-1
(5)Std. InChIKey: OEQSACUVTKYXIR-UHFFFAOYSA-M

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