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64118-38-3

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Basic Information
CAS No.: 64118-38-3
Name: HEPTANOIC-2,2-D2 ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 64118-38-3 (HEPTANOIC-2,2-D2 ACID)
Formula: C7H12D2O2
Molecular Weight: 132.171
Synonyms: HEPTANOIC-2,2-D2 ACID;Heptanoic--d2 Acid
Density: 0.953 g/cm3
Boiling Point: 222.595 °C at 760 mmHg
Flash Point: 99.225 °C
PSA: 37.30000
LogP: 2.04140
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Specification

The Heptanoic-2,2-d2 acid(9CI) is an organic compound with the formula C7H12D2O2. The systematic name of this chemical is (2,2-2H2)Heptanoic acid. The CAS registry number of this chemical is 64118-38-3. Besides, its molecular weight is 132.2.

Physical properties about Heptanoic-2,2-d2 acid(9CI) are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 1.431; (3)ACD/BCF (pH 5.5): 4.643; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 62.098; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 36.043 cm3; (13)Molar Volume: 138.708 cm3; (14)Polarizability: 14.289×10-24 cm3; (15)Surface Tension: 32.995 dyne/cm; (16)Density: 0.953 g/cm3; (17)Flash Point: 99.225 °C; (18)Enthalpy of Vaporization: 48.521 kJ/mol; (19)Boiling Point: 222.595 °C at 760 mmHg; (20)Vapour Pressure: 0.058 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i6D2
(2)InChIKey: MNWFXJYAOYHMED-NCYHJHSEEN
(3)Std. InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/i6D2
(4)Std. InChIKey: MNWFXJYAOYHMED-NCYHJHSESA-N