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13989-27-0

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Basic Information
CAS No.: 13989-27-0
Name: 2-fluoroacrolein
Article Data: 7
Molecular Structure:
Molecular Structure of 13989-27-0 (2-fluoroacrolein)
Formula: C3H3FO
Molecular Weight: 74.0546
Synonyms: 2-Fluoroacrylaldehyde;
Density: 0.977 g/cm3
Boiling Point: 63 °C at 760 mmHg
Flash Point: 4.9 °C
PSA: 17.07000
LogP: 0.66850
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Specification

The 2-Propenal, 2-Fluoro-(9CI), with the CAS registry number 13989-27-0, is also known as 2-Fluoroacrylaldehyde. This chemical's molecular formula is C3H3FO and molecular weight is 74.0537. What's more, both its IUPAC name and systematic name are the same which is called 2-Fluoroprop-2-enal.

Physical properties about 2-Propenal, 2-Fluoro-(9CI) are: (1)ACD/LogP: -0.12; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.12; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.52; (8)ACD/KOC (pH 7.4): 20.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.339; (14)Molar Refractivity: 15.86 cm3; (15)Molar Volume: 75.7 cm3; (16)Polarizability: 6.28×10-24cm3; (17)Surface Tension: 17.5 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 4.9 °C; (20)Enthalpy of Vaporization: 30.52 kJ/mol; (21)Boiling Point: 63 °C at 760 mmHg; (22)Vapour Pressure: 174 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: F/C(=C)C=O
(2) InChI: InChI=1/C3H3FO/c1-3(4)2-5/h2H,1H2
(3) InChIKey: MQBNWHZGDKLEHL-UHFFFAOYAX