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Name |
Benzoic acid, 3,3'-methylenebis[2-hydroxy-] |
EINECS | N/A |
CAS No. | 5578-67-6 | Density | 1.511 g/cm3 |
PSA | 115.06000 | LogP | 2.08500 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H12O6 | Boiling Point | 541.179 °C at 760 mmHg |
Molecular Weight | 288.257 | Flash Point | 295.162 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3'-Methanediylbis(2-hydroxybenzoic acid); |
Article Data | 3 |
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