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Methyl 1,4-dihydroxy-2-naphthoate

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Name

Methyl 1,4-dihydroxy-2-naphthoate

EINECS N/A
CAS No. 77060-74-3 Density 1.378 g/cm3
PSA 66.76000 LogP 2.03760
Solubility at 25 °C (mg/L): 1.904e+004 Melting Point 192-193 °C
Formula C12H10O4 Boiling Point 432.9 °C at 760 mmHg
Molecular Weight 218.209 Flash Point 173.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 77060-74-3 (Methyl 1,4-dihydroxy-2-naphthoate) Hazard Symbols N/A
Synonyms

1,4-Dihydroxy-2-naphthalenecarboxylic acid methyl ester;

Article Data 1

Methyl 1,4-dihydroxy-2-naphthoate Specification

The Methyl 1,4-dihydroxy-2-naphthoate, with the CAS registry number 77060-74-3, is also known as 1,4-Dihydroxy-2-naphthalenecarboxylic acid methyl ester. This chemical's molecular formula is C12H10O4 and molecular weight is 218.21. What's more, its systematic name is called Methyl 1,4-dihydroxynaphthalene-2-carboxylate.

Physical properties about Methyl 1,4-dihydroxy-2-naphthoate are: (1) ACD/LogP: 3.06; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.06; (4) ACD/LogD (pH 7.4): 3.04; (5) ACD/BCF (pH 5.5): 124.06; (6) ACD/BCF (pH 7.4): 118.62; (7) ACD/KOC (pH 5.5): 1096.89; (8) ACD/KOC (pH 7.4): 1048.8; (9) #H bond acceptors: 4; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 44.76 Å2; (13) Index of Refraction: 1.677; (14) Molar Refractivity: 59.63 cm3; (15) Molar Volume: 158.3 cm3; (16) Surface Tension: 62.9 dyne/cm; (17) Density: 1.378 g/cm3; (18) Flash Point: 173.7 °C; (19) Enthalpy of Vaporization: 71.54 kJ/mol; (20) Boiling Point: 432.9 °C at 760 mmHg; (21) Vapour Pressure: 4.22E-08 mmHg at 25 °C; (22) Melting Point: 192-193 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c2cc(O)c1ccccc1c2O
(2) InChI: InChI=1/C12H10O4/c1-16-12(15)9-6-10(13)7-4-2-3-5-8(7)11(9)14/h2-6,13-14H,1H3
(3) InChIKey: CRMAPJSLKLVFBT-UHFFFAOYAI

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