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60153-92-6

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Basic Information
CAS No.: 60153-92-6
Name: PROPIONIC-D5 ACID
Molecular Structure:
Molecular Structure of 60153-92-6 (PROPIONIC-D5 ACID)
Formula: C3HD5O2
Molecular Weight: 79.0397
Synonyms: Propionic-d5 acid;
Density: 1.088 g/cm3
Boiling Point: 141.693 °C at 760 mmHg
Flash Point: 57.705 °C
PSA: 37.30000
LogP: 0.48100
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  • PROPIONIC-D5 ACID

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    PROPIONIC-D5 ACID

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    Propionic acid-d5 CAS 60153-92-6 2,2,3,3,3-pentadeuteriopropanoic acid

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Specification

The Propanoic-d5 acid (9CI), with the CAS registry number of 60153-92-6, is also known as Propionic-d5 acid. This chemical's molecular formula is C3HD5O2 and molecular weight is 79.11. What's more, its systematic name is (2H5)Propanoic acid.

Physical properties about Propanoic-d5 acid (9CI) are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.931; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.3 Å2; (11)Index of Refraction: 1.397; (12)Molar Refractivity: 17.512 cm3; (13)Molar Volume: 72.682 cm3; (14)Surface Tension: 32.325 dyne/cm; (15)Density: 1.088 g/cm3; (16)Flash Point: 57.705 °C; (17)Enthalpy of Vaporization: 40.075 kJ/mol; (18)Boiling Point: 141.693 °C at 760 mmHg; (19)Vapour Pressure: 4.227 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])C(=O)O
(2) InChI: InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3,2D2
(3) InChIKey: XBDQKXXYIPTUBI-ZBJDZAJPEQ