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Basic Information
CAS No.: 607-20-5
Name: 1,2-Naphthalenedione, 6-hydroxy
Molecular Structure:
Molecular Structure of 607-20-5 (1,2-Naphthalenedione, 6-hydroxy)
Formula: C10H6O3
Molecular Weight: 174.1528
Synonyms: 1,2-Naphthoquinone, 6-hydroxy-;6-Dydroxynaphthalene-1,2-dione;
Density: 1.439 g/cm3
Melting Point: 165 °C (decomp)
Boiling Point: 405.2 °C at 760 mmHg
Flash Point: 213 °C
PSA: 54.37000
LogP: 1.17080
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Specification

The 1,2-Naphthalenedione, 6-hydroxy, with the CAS registry number 607-20-5, is also known as 6-Dydroxynaphthalene-1,2-dione. This chemical's molecular formula is C10H6O3 and molecular weight is 174.1528. Its systematic name is called 6-hydroxynaphthalene-1,2-dione.

Physical properties of 1,2-Naphthalenedione, 6-hydroxy: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 65.4; (8)ACD/KOC (pH 7.4): 2.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 44.78 cm3; (14)Molar Volume: 120.9 cm3; (15)Surface Tension: 66.7 dyne/cm; (16)Density: 1.439 g/cm3; (17)Flash Point: 213 °C; (18)Enthalpy of Vaporization: 68.23 kJ/mol; (19)Boiling Point: 405.2 °C at 760 mmHg; (20)Vapour Pressure: 3.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c2ccc(O)cc2\C=C/C1=O
(2)InChI: InChI=1/C10H6O3/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5,11H
(3)InChIKey: CQWXLWDPFSPVHK-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H6O3/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1-5,11H
(5)Std. InChIKey: CQWXLWDPFSPVHK-UHFFFAOYSA-N