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64954-45-6

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Basic Information
CAS No.: 64954-45-6
Name: 1,3-Naphthalenediol,6,8-dimethoxy-
Article Data: 5
Molecular Structure:
Molecular Structure of 64954-45-6 (1,3-Naphthalenediol,6,8-dimethoxy-)
Formula: C12H12O4
Molecular Weight: 220.225
Synonyms: 1,3-Naphthalenediol,6,8-dimethoxy-;6,8-dimethoxynaphthalene-1,3-diol
Density: 1.308 g/cm3
Melting Point: 128-129 °C
Boiling Point: 435.322 °C at 760 mmHg
Flash Point: 217.075 °C
PSA: 58.92000
LogP: 2.26820
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Specification

The 1,3-Naphthalenediol,6,8-dimethoxy-, with the CAS registry number 64954-45-6, has the molecular formula C12H12O4. Besides, its molecular weight is 220.22128. Its IUPAC name is called 6,8-dimethoxynaphthalene-1,3-diol. 

Physical properties of 1,3-Naphthalenediol,6,8-dimethoxy-: (1)ACD/LogP: 2.6; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 2.573; (4)ACD/BCF (pH 5.5): 55.699; (5)ACD/BCF (pH 7.4): 52.295; (6)ACD/KOC (pH 5.5): 618.283; (7)ACD/KOC (pH 7.4): 580.497; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 61.216 cm3; (13)Molar Volume: 168.414 cm3; (14)Surface Tension: 53.03 dyne/cm; (15)Density: 1.308 g/cm3; (16)Flash Point: 217.075 °C; (17)Enthalpy of Vaporization: 71.828 kJ/mol; (18)Boiling Point: 435.322 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=CC(=CC(=C2C(=C1)OC)O)O
(2)InChI: InChI=1S/C12H12O4/c1-15-9-4-7-3-8(13)5-10(14)12(7)11(6-9)16-2/h3-6,13-14H,1-2H3
(3)InChIKey: XYSLPVXFJXCPJF-UHFFFAOYSA-N