2-Propenoic acid,2-chloro-, sodium salt (1:1) (32997-86-7)

The 2-Chloroacrylic acid sodium salt, with the cas registry number 32997-86-7, is also known as 2-Propenoic acid, 2-chloro-, sodium salt (1:1) and Sodium cis-2-chloroacrylate. This chemical's molecular formula is C₃H₂ClNaO₂ and formula weight is 128.49. What's more, its systematic name is called Sodium 2-chloroprop-2-enoate.

Physical properties about this chemical are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (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: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Flash Point: 73.1 °C; (14)Enthalpy of Vaporization: 47.78 kJ/mol; (15)Boiling Point: 197.2 °C at 760 mmHg; (16)Vapour Pressure: 0.163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)C(\Cl)=C
(2)InChI: InChI=1/C3H3ClO2.Na/c1-2(4)3(5)6;/h1H2,(H,5,6);/q;+1/p-1
(3)InChIKey: BNGQLYQWSYXQLK-REWHXWOFAU