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Basic Information
CAS No.: 91214-05-0
Name: 6-OXOUNDECANOIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 91214-05-0 (6-OXOUNDECANOIC ACID)
Formula: C11H20O3
Molecular Weight: 200.278
Synonyms: 6-OXOUNDECANOIC ACID
Density: 0.992 g/cm3
Boiling Point: 350.5 °C at 760 mmHg
Flash Point: 180 °C
PSA: 54.37000
LogP: 2.78080
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Specification

The Undecanoic acid, 6-oxo- is an organic compound with the formula C11H20O3. With the CAS registry number 91214-05-0, the IUPAC name of this chemical is 6-oxoundecanoic acid.

Physical properties about Undecanoic acid, 6-oxo- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): -0.38; (4)ACD/BCF (pH 5.5): 4.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 56.33; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 43.37 Å2; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 54.6 cm3; (14)Molar Volume: 201.8 cm3; (15)Polarizability: 21.64×10-24cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 0.992 g/cm3; (18)Flash Point: 180 °C; (19)Enthalpy of Vaporization: 65.39 kJ/mol; (20)Boiling Point: 350.5 °C at 760 mmHg; (21)Vapour Pressure: 7.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCC(=O)O)CCCCC
(2)InChI: InChI=1/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
(3)InChIKey: CFHSTABJNSOHHK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
(5)Std. InChIKey: CFHSTABJNSOHHK-UHFFFAOYSA-N