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| CAS No.: | 34574-69-1 |
|---|---|
| Name: | 3-hydroxy-dodecanedioic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H22O5 |
| Molecular Weight: | 246.304 |
| Synonyms: | 3-Hydroxydodecanedioicacid; |
| Density: | 1.152g/cm3 |
| Boiling Point: | 456.2 °C at 760 mmHg |
| Flash Point: | 243.8 °C |
| PSA: | 94.83000 |
| LogP: | 2.02740 |
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- Total:12 Page 1 of 1 1
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Specification
The 3-Hydroxydodecanedioic acid with the CAS number 34574-69-1 is also called Dodecanedioic acid,3-hydroxy-. Its molecular formula is C12H22O5. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 12; (10)Polar Surface Area: 94.83 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 62.26 cm3; (13)Molar Volume: 213.7 cm3; (14)Polarizability: 24.68×10-24cm3; (15)Surface Tension: 49.6 dyne/cm; (16)Enthalpy of Vaporization: 82.6 kJ/mol; (17)Vapour Pressure: 3.06×10-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)CC(O)CCCCCCCCC(O)=O
(2)InChI: InChI=1/C12H22O5/c13-10(9-12(16)17)7-5-3-1-2-4-6-8-11(14)15/h10,13H,1-9H2,(H,14,15)(H,16,17)
(3)InChIKey: FYVQCLGZFXHEGL-UHFFFAOYAV