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5578-67-6

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Basic Information
CAS No.: 5578-67-6
Name: MALONDIALDEHYDE
Article Data: 3
Molecular Structure:
Molecular Structure of 5578-67-6 (MALONDIALDEHYDE)
Formula: C15H12O6
Molecular Weight: 288.257
Synonyms: 3,3'-Methanediylbis(2-hydroxybenzoic acid);
Density: 1.511 g/cm3
Boiling Point: 541.179 °C at 760 mmHg
Flash Point: 295.162 °C
PSA: 115.06000
LogP: 2.08500
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Specification

The Benzoic acid, 3,3'-methylenebis[2-hydroxy-], with the CAS registry number 5578-67-6, is also known as 3,3'-Methanediylbis(2-hydroxybenzoic acid). This chemical's molecular formula is C15H12O6 and molecular weight is 288.25. What's more, its systematic name is called 3,3'-Methylenebis(2-hydroxybenzoic acid).

Physical properties about Benzoic acid, 3,3'-methylenebis[2-hydroxy-] are: (1)ACD/LogP: 3.801; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 115.06 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 73.19 cm3; (15)Molar Volume: 190.754 cm3; (16)Polarizability: 29.015×10-24cm3; (17)Surface Tension: 81.194 dyne/cm; (18)Density: 1.511 g/cm3; (19)Flash Point: 295.162 °C; (20)Enthalpy of Vaporization: 86.196 kJ/mol; (21)Boiling Point: 541.179 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cccc(c1O)Cc2cccc(C(=O)O)c2O
(2) InChI: InChI=1S/C15H12O6/c16-12-8(3-1-5-10(12)14(18)19)7-9-4-2-6-11(13(9)17)15(20)21/h1-6,16-17H,7H2,(H,18,19)(H,20,21)
(3) InChIKey: RWXFMUMBJLQGDZ-UHFFFAOYSA-N