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Basic Information
CAS No.: 3313-92-6
Name: disodium peroxydicarbonate
Molecular Structure:
Molecular Structure of 3313-92-6 (disodium peroxydicarbonate)
Formula: C2Na2O6
Molecular Weight: 166.00
Synonyms: Peroxydicarbonicacid, disodium salt (8CI,9CI);Sodium peroxydicarbonate (6CI,7CI);SPC-G;Sodium carbonate (Na2C2O6);Sodium percarbonate;Sodium percarbonate (Na2C2O6);
EINECS: 222-003-8
Melting Point: 851oC
Boiling Point: 300.9 °C at 760 mmHg
Flash Point: 145.1 °C
PSA: 98.72000
LogP: -2.37880
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Specification

The Peroxydicarbonic acid,sodium salt (1:2), with the CAS registry number 3313-92-6, is also known as Disodium peroxydicarbonate. This chemical's molecular formula is C2Na2O6 and molecular weight is 166. What's more, its systematic name is called Disodium dioxybis(oxomethanolate).

Physical properties about Peroxydicarbonic acid,sodium salt (1:2) are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -5; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 93.06 Å2; (13)Flash Point: 145.1 °C; (14)Enthalpy of Vaporization: 59.51 kJ/mol; (15)Boiling Point: 300.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000256 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[Na+].[O-]C(=O)OOC([O-])=O
(2) InChI: InChI=1/C2H2O6.2Na/c3-1(4)7-8-2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
(3) InChIKey: VTIIJXUACCWYHX-NUQVWONBAP

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2050mg/kg (2050mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

GASTROINTESTINAL: OTHER CHANGES		 Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 27, Pg. 553, 1986.