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CAS No.: | 17173-14-7 |
---|---|
Name: | 7-hydroxy-octanoic acid |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H16O3 |
Molecular Weight: | 160.213 |
Synonyms: | (?à)-7-Hydroxyoctanoic acid;7-Hydroxyoctanoic acid; |
Density: | 1.046g/cm3 |
Boiling Point: | 291.2 °C at 760 mmHg |
Flash Point: | 144.1 °C |
PSA: | 57.53000 |
LogP: | 1.40230 |
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The Octanoic acid,7-hydroxy-, with CAS registry number 17173-14-7, has the systematic name of 7-hydroxyoctanoic acid. Besides this, it is also called 7-hydroxy-octanoic acid. This chemical is found in serum & urine of patients with severe hypoglycemia. And the chemical formula of this chemical is C8H16O3.
Physical properties of Octanoic acid,7-hydroxy-: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.09; (4)ACD/LogD (pH 7.4): -1.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.09; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 42.16 cm3; (15)Molar Volume: 153 cm3; (16)Polarizability: 16.71×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 61.57 kJ/mol; (21)Boiling Point: 291.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000214 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCC(O)C
(2)InChI: InChI=1/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
(3)InChIKey: OFCMTSZRXXFMBQ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H16O3/c1-7(9)5-3-2-4-6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
(5)Std. InChIKey: OFCMTSZRXXFMBQ-UHFFFAOYSA-N