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44843-89-2

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Basic Information
CAS No.: 44843-89-2
Name: 5-hydroxyhexanoic acid
Article Data: 9
Molecular Structure:
Molecular Structure of 44843-89-2 (5-hydroxyhexanoic acid)
Formula: C6H12O3
Molecular Weight: 132.159
Synonyms: Hexanoic acid, 5-hydroxy-;5-Hydroxycaproate;
Density: 1.101 g/cm3
Boiling Point: 263.141 °C at 760 mmHg
Flash Point: 127.196 °C
PSA: 57.53000
LogP: 0.62210
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Specification

The 5-Hydroxycaproic acid, with the CAS registry number 44843-89-2, is also known as Acide 5-hydroxyhexanoïque. This chemical's molecular formula is C6H12O3 and molecular weight is 132.08. What's more, its IUPAC name is the same with its product name.

Physical properties about 5-Hydroxycaproic acid are: (1)ACD/LogP: -0.198; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.57; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 32.904 cm3; (15)Molar Volume: 120.084 cm3; (16)Polarizability: 13.044×10-24cm3; (17)Surface Tension: 42.59 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 127.196 °C; (20)Enthalpy of Vaporization: 58.179 kJ/mol; (21)Boiling Point: 263.141 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCC(O)C
(2) InChI: InChI=1S/C6H12O3/c1-5(7)3-2-4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)
(3) InChIKey: YDCRNMJQROAWFT-UHFFFAOYSA-N