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| CAS No.: | 613-14-9 |
|---|---|
| Name: | 2-HYDROXYANTHRACENE |
| Molecular Structure: | |
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| Formula: | C14H10O |
| Molecular Weight: | 194.233 |
| Synonyms: | 2-Anthrol;Anthracen-2-ol; |
| Density: | 1.244 g/cm3 |
| Melting Point: | 166 °C(Solv: ethanol (64-17-5)) |
| Boiling Point: | 404.5 °C at 760 mmHg |
| Flash Point: | 197.7 °C |
| Solubility: | 91.67mg/L(20 oC) |
| PSA: | 20.23000 |
| LogP: | 3.69860 |
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Specification
The 2-Anthracenol, with the CAS registry number 613-14-9, is also known as 2-Anthrol. This chemical's molecular formula is C14H10O and molecular weight is 194.23. What's more, its IUPAC name is Anthracen-2-ol.
Physical properties of 2-Anthracenol are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 584.67; (6)ACD/BCF (pH 7.4): 580.8; (7)ACD/KOC (pH 5.5): 3327.74; (8)ACD/KOC (pH 7.4): 3305.69; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 63.81 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 25.3×10-24 cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 197.7 °C; (20)Enthalpy of Vaporization: 68.15 kJ/mol; (21)Boiling Point: 404.5 °C at 760 mmHg; (22)Vapour Pressure: 4.02E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)O
(2)InChI: InChI=1S/C14H10O/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,15H
(3)InChIKey: BQBWUVWMUXGILF-UHFFFAOYSA-N