The Propanedioic acid,sodium salt, hydrate (1:2:1), with the CAS registry number 26522-85-0 and EINECS registry number 205-514-0, has the systematic name of disodium propanedioate hydrate. And the molecular formula of the chemical is C3H4Na2O5. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of Propanedioic acid,sodium salt, hydrate (1:2:1) are as followings: (1)ACD/LogP: -0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.35; (4)ACD/LogD (pH 7.4): -5.24; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.6 Å2 ; (13)Flash Point: 201.9 °C; (14)Enthalpy of Vaporization: 69.8 kJ/mol; (15)Boiling Point: 386.8 °C at 760 mmHg; (16)Vapour Pressure: 4.66E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CC([O-])=O.O
(2)InChI: InChI=1/C3H4O4.2Na.H2O/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);;;1H2/q;2*+1;/p-2
(3)InChIKey: INIYRMMIDZWSKY-NUQVWONBAF
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