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73141-46-5

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Basic Information
CAS No.: 73141-46-5
Name: 3-Hydroxysebacic Acid
Molecular Structure:
Molecular Structure of 73141-46-5 (3-Hydroxysebacic Acid)
Formula: C10H18O5
Molecular Weight: 218.25
Synonyms: 3-Hydroxydecanedioicacid;3-Hydroxysebacic acid;
Density: 1.207 g/cm3
Boiling Point: 426.6 °C at 760 mmHg
Flash Point: 225.9 °C
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Specification

The Decanedioic acid,3-hydroxy-, with the CAS registry number 73141-46-5, is also known as 3-Hydroxydecanedioate. This chemical's molecular formula is C10H18O5 and molecular weight is 218.25. Its systematic name is called 3-hydroxydecanedioic acid.

Physical properties of Decanedioic acid,3-hydroxy-: (1)ACD/LogP: -0.05; (2)ACD/LogD (pH 5.5): -2.1; (3)ACD/LogD (pH 7.4): -4.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 10; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 53 cm3; (13)Molar Volume: 180.7 cm3; (14)Surface Tension: 53 dyne/cm; (15)Density: 1.207 g/cm3; (16)Flash Point: 225.9 °C; (17)Enthalpy of Vaporization: 78.69 kJ/mol; (18)Boiling Point: 426.6 °C at 760 mmHg; (19)Vapour Pressure: 4.57E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(O)CCCCCCC(=O)O
(2)InChI: InChI=1/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
(3)InChIKey: OQYZCCKCJQWHIE-UHFFFAOYAK