-
Name
anthracen-9-ol
- EINECS
- CAS No. 529-86-2
- Article Data4
- CAS DataBase
- Density 1.244g/cm3
- Solubility 35.93mg/L(25 oC)
- Melting Point 120° (if bath is heated to 110°); mp 152° (if bath is cold at start)
- Formula C14H10O
- Boiling Point 404.5 °C at 760 mmHg
- Molecular Weight 194.233
- Flash Point 197.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 9-Hydroxyanthracene;Anthracene, 9-hydroxy-;
- PSA 20.23000
- LogP 3.69860
9-Anthracenol Specification
The 9-Anthracenol, with the CAS registry number 529-86-2, is also known as 9-Hydroxyanthracene and Anthracene, 9-hydroxy-. This chemical's molecular formula is C14H10O and molecular weight is 194.2286. What's more, both its IUPAC name and systematic name are the same which is called Anthracen-9-ol.
Physical properties about 9-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): 584.65; (6)ACD/BCF (pH 7.4): 578.94; (7)ACD/KOC (pH 5.5): 3327.6; (8)ACD/KOC (pH 7.4): 3295.09; (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)Surface Tension: 57.5 dyne/cm; (17)Density: 1.244 g/cm3; (18)Flash Point: 197.7 °C; (19)Enthalpy of Vaporization: 68.15 kJ/mol; (20)Boiling Point: 404.5 °C at 760 mmHg; (21)Vapour Pressure: 4.02E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc2c3c(cc1c2cccc1)cccc3
(2) InChI: InChI=1/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
(3) InChIKey: AUKRYONWZHRJRE-UHFFFAOYAG
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