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CAS No.: | 4488-43-1 |
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Name: | 5-Acenaphthylenecarboxylic acid |
Molecular Structure: | |
Formula: | C13H8O2 |
Molecular Weight: | 196.20 |
Synonyms: | Acenaphthylene-5-carboxylic acid; |
Density: | 1.394 g/cm3 |
Boiling Point: | 422.311 °C at 760 mmHg |
Flash Point: | 186.537 °C |
PSA: | 37.30000 |
LogP: | 3.02180 |
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The CAS registry number of 5-Acenaphthylenecarboxylic acid is 4488-43-1. The systematic name is acenaphthylene-5-carboxylic acid. In addition, the molecular formula is C13H8O2 and the molecular weight is 196.20. It should be stored in a cool and dry place.
Physical properties of 5-Acenaphthylenecarboxylic acid: (1)ACD/LogP: 3.42; (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): 11; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 58.192 cm3; (15)Molar Volume: 140.725 cm3; (16)Polarizability: 23.069×10-24cm3; (17)Surface Tension: 72.612 dyne/cm; (18)Enthalpy of Vaporization: 71.315 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccc3\C=C/c2cccc1c23
(2)InChI: InChI=1/C13H8O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-7H,(H,14,15)
(3)InChIKey: CZVILAASJKYMAM-UHFFFAOYAD