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12447-61-9

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Basic Information
CAS No.: 12447-61-9
Name: 3.5H2O ZINC BORATE
Molecular Structure:
Molecular Structure of 12447-61-9 (3.5H2O ZINC BORATE)
Formula: H30B2O17Zn2
Molecular Weight: 454.668
Synonyms: 3.5H2O ZINC BORATE;Boric acid(H4B6O11), zinc salt(1:2);Boron zinc oxide (B6Zn2O11), hydrate (2:15);Boric acid, zinc salt , hydrate;Boric acid,zinc salt,hydrate;boron zinc oxide hydrate;Boric acid (H4B6o11) zinc salt (1:2) hydrate;Boric acid (H4B6o11), zinc salt (1:2), hydrate
Boiling Point: 100 °C at 760 mmHg
PSA: 138.45000
LogP: -3.57490
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Specification

The Dizinc; boron; oxygen(-2) anion; pentadecahydrate, with the CAS registry number 12447-61-9, is also known as Boron zinc oxide (B6Zn2O11), hydrate (2:15). Its molecular formula is H30B2O17Zn2 and its molecular weight is 454.668.

Other characteristics of the Dizinc; boron; oxygen(-2) anion; pentadecahydrate can be summarised as followings: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -1.38; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 9.23 Å2; (11)Enthalpy of Vaporization: 40.65 kJ/mol; (12)Boiling Point: 100 °C at 760 mmHg; (13)Vapour Pressure: 24.5 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [Zn+2].[Zn+2].[O-2].[O-2].B.B.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
2.InChI: InChI=1/2B.15H2O.2O.2Zn/h;;15*1H2;;;;/q;;;;;;;;;;;;;;;;;2*-2;2*+2
3.InChIKey: DSNJRURNQLXBCU-UHFFFAOYAQ