Basic information
- Name:
2(1H)-Naphthalenone,3,4-dihydro-6-hydroxy-
- Superlist Name:
- 6-Hydroxyl-2-tetralone
- CAS No.:
52727-28-3
- Molecular Structure:
- Formula:
- C10H10O2
- Molecular Weight:
- 162.18
- Synonyms:
- 6-Hydroxy-2-tetralone;3,4-Dihydro-6-hydroxy-1H-naphthalen-2-one;
- Density:
- 1.236 g/cm3
- Boiling Point:
- 353.3 °C at 760 mmHg
- Flash Point:
- 150.6 °C
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Specification
The 6-Hydroxyl-2-tetralone, with the CAS registry number 52727-28-3, is also known as 3,4-Dihydro-6-hydroxy-1H-naphthalen-2-one. Its molecular formula is C10H10O2 and its molecular weight is 162.19. Additionally, its systematic name is 6-hydroxy-3,4-dihydronaphthalen-2(1H)-one.
Other characteristics of the 6-Hydroxyl-2-tetralone can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.32; (7)ACD/KOC (pH 5.5): 82.31; (8)ACD/KOC (pH 7.4): 82.04; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 45.05 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 17.85×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 150.6 °C; (20)Enthalpy of Vaporization: 62.19 kJ/mol; (21)Boiling Point: 353.3 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2Cc1c(cc(O)cc1)CC2
2.InChI: InChI=1/C10H10O2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1,3,6,11H,2,4-5H2
3.InChIKey: RRWJKWKHVNDLOY-UHFFFAOYAJ
