The systematic name of 2,6-Dihydroxybenzaldehyde is 2,6-Dihydroxybenzaldehyde. With the CAS registry number 387-46-2, it is also named as Benzaldehyde,2,6-dihydroxy-. The product's category is aromatic aldehydes & derivatives (substituted). In addition, its molecular formula is C7H6O3 and its molecular weight is 138.12.
The other characteristics of 2,6-Dihydroxybenzaldehyde can be summarized as: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 173; (8)ACD/KOC (pH 7.4): 112; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 36.769 cm3; (15)Molar Volume: 97.959 cm3; (16)Polarizability: 14.576×10-24cm3; (17)Surface Tension: 69.027 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 103.154 °C; (20)Melting point: 154-155 °C; (21)Enthalpy of Vaporization: 47.853 kJ/mol; (22)Boiling Point: 223.343 °C at 760 mmHg; (23)Vapour Pressure: 0.065 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=Cc1c(O)cccc1O
(2)InChI:InChI=1/C7H6O3/c8-4-5-6(9)2-1-3-7(5)10/h1-4,9-10H
(3)InChIKey:DGXAGETVRDOQFP-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C7H6O3/c8-4-5-6(9)2-1-3-7(5)10/h1-4,9-10H
(5)Std. InChIKey:DGXAGETVRDOQFP-UHFFFAOYSA-N
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