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Name	Cis,cis-1,3,5-cyclohexanetriol dihydrate	EINECS	N/A
CAS No.	50409-12-6	Density	1.356g/cm³
PSA	60.69000	LogP	-0.74700
Solubility	N/A	Melting Point	108-111 °C(lit.)
Formula	C₆H₁₆O₅	Boiling Point	492.4 °C at 760 mmHg
Molecular Weight	132.159	Flash Point	251.6 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Cyclohexane-1,3,5-triol dihydrate;Cis,cis-1,3,5-Trihydroxycyclohexane;Cis-Phloroglucitol;	Article Data	7

Cis,cis-1,3,5-cyclohexanetriol dihydrate Specification

The Cis,cis-1,3,5-cyclohexanetriol dihydrate with CAS registry number of 50409-12-6 is also known as Cis,cis-1,3,5-Trihydroxycyclohexane. The systematic name is Cyclohexane-1,3,5-triol dihydrate. In addition, the formula is C₆H₁₆O₅ and the molecular weight is 168.19.

Physical properties about Cis,cis-1,3,5-cyclohexanetriol dihydrate are: (1) # of Rule of 5 Violations: 1; (2)#H bond acceptors: 5; (3)#H bond donors: 7; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 79.15Å²; (6)Flash Point: 251.6 °C; (7)Enthalpy of Vaporization: 87.48 kJ/mol; (8)Boiling Point: 492.4 °C at 760 mmHg; (9)Vapour Pressure: 9.19E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O[C@@H]1C[C@H](O)C[C@H](O)C1.O.O
2. InChI: InChI=1/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2/t4-,5+,6-;;
3. InChIKey: MAPLMYMZLRIJSP-XHTDGWPABE
4. Std. InChI: InChI=1S/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2/t4-,5+,6-;;
5. Std. InChIKey: MAPLMYMZLRIJSP-XHTDGWPASA-N

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