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61219-61-2

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Basic Information
CAS No.: 61219-61-2
Name: N-PROPYL FORMATE-D1
Molecular Structure:
Molecular Structure of 61219-61-2 (N-PROPYL FORMATE-D1)
Formula: C4H7DO2
Molecular Weight: 89.0984
Synonyms: N-PROPYL FORMATE-D1
Density: 0.907 g/cm3
Boiling Point: 81.93 °C at 760 mmHg
PSA: 26.30000
LogP: 1.20530
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Specification

This chemical is called Propyl (2H)formate, and its CAS registry number is 61219-61-2. With the molecular formula of C4H7DO2, its molecular weight is 89.11.

Other characteristics of the Propyl (2H)formate can be summarised as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.886; (4)ACD/LogD (pH 7.4): 0.886; (5)ACD/BCF (pH 5.5): 2.776; (6)ACD/BCF (pH 7.4): 2.776; (7)ACD/KOC (pH 5.5): 72.289; (8)ACD/KOC (pH 7.4): 72.289; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.375; (14)Molar Refractivity: 22.512 cm3; (15)Molar Volume: 98.243 cm3; (16)Polarizability: 8.925×10-24cm3; (17)Surface Tension: 25.074 dyne/cm; (18)Density: 0.907 g/cm3; (19)Enthalpy of Vaporization: 33.61 kJ/mol; (20)Boiling Point: 81.93 °C at 760 mmHg; (21)Vapour Pressure: 80.294 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]C(=O)OCCC
2.InChI: InChI=1/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3/i4D
3.InChIKey: KFNNIILCVOLYIR-QYKNYGDIEM