2-Naphthalenecarboxylicacid, 1,4-dihydroxy-, methyl ester (77060-74-3)

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