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CAS No.: | 67537-70-6 |
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Name: | 1,2,3,4,5,6-CYCLOHEXANEHEXACARBOXYLIC ACID MONOHYDRATE |
Molecular Structure: | |
Formula: | C12H12O12 |
Molecular Weight: | 348.22 |
Synonyms: | TIMTEC-BB SBB008496;1,2,3,4,5,6-CYCLOHEXANEHEXACARBOXYLIC ACID MONOHYDRATE;Fr-2173 |
EINECS: | 218-699-8 |
Density: | 1.935 g/cm3 |
Boiling Point: | 598.5 °C at 760 mmHg |
Flash Point: | 329.8 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 233.03000 |
LogP: | -1.85950 |
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The Cyclohexanehexacarboxylicacid is an organic compound with the formula C12H12O12. The IUPAC name of this chemical is Cyclohexane-1,2,3,4,5,6-hexacarboxylic acid. With the CAS registry number 67537-70-6, it is also named as 1,2,3,4,5,6-Cyclohexanehexacarboxylic Acid. Besides, its molecular weight is 348.22.
Physical properties about Cyclohexanehexacarboxylicacid are: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.79; (4)ACD/LogD (pH 7.4): -8.38; (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: 12; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 157.8 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 64.31 cm3; (15)Molar Volume: 179.9 cm3; (16)Polarizability: 25.49×10-24 cm3; (17)Surface Tension: 125.2 dyne/cm; (18)Density: 1.935 g/cm3; (19)Flash Point: 329.8 °C; (20)Enthalpy of Vaporization: 97.34 kJ/mol; (21)Boiling Point: 598.5 °C at 760 mmHg; (22)Vapour Pressure: 7.18E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
(2)InChIKey: DTGRIEIJTWNZQF-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C12H12O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
(4)Std. InChIKey: DTGRIEIJTWNZQF-UHFFFAOYSA-N