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Malonic acid disodium salt monohydrate

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Name

Malonic acid disodium salt monohydrate

EINECS 205-514-0
CAS No. 26522-85-0 Density N/A
PSA 89.49000 LogP -3.18800
Solubility 1 M at 20 °C, clear, colorless in water Melting Point N/A
Formula C3H6Na2O5 Boiling Point 386.8 °C at 760 mmHg
Molecular Weight 168.04 Flash Point 201.9 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 26522-85-0 (MALONIC ACID DISODIUM SALT MONOHYDRATE) Hazard Symbols N/A
Synonyms

Disodium malonate monohydrate;Propanedioic acid, disodium salt,monohydrate (9CI);Malonicacid, disodium salt, monohydrate (8CI);

 

Malonic acid disodium salt monohydrate Specification

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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