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399580-48-4

Basic Information
CAS No.: 399580-48-4
Name: (2-(Trifluoromethoxy)phenyl)acrylic acid
Molecular Structure:
Molecular Structure of 399580-48-4 ((2-(Trifluoromethoxy)phenyl)acrylic acid)
Formula: C10H7F3O3
Molecular Weight: 232.16
Synonyms: (2E)-3-[2-(Trifluoromethoxy)phenyl]acrylic acid;
Density: 1.403 g/cm3
Boiling Point: 281.305 °C at 760 mmHg
Flash Point: 123.929 °C
Hazard Symbols: IrritantXi
PSA: 46.53000
LogP: 2.68300
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Specification

The (2-(Trifluoromethoxy)phenyl)acrylic acid, with the CAS registry number of 399580-48-4, is also known as (2E)-3-[2-(Trifluoromethoxy)phenyl]acrylic acid. This chemical's molecular formula is C10H7F3O3 and molecular weight is 232.16. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about (2-(Trifluoromethoxy)phenyl)acrylic acid are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.53 Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 50.842 cm3; (14)Molar Volume: 165.428 cm3; (15)Polarizability: 20.155×10-24 cm3; (16)Surface Tension: 38.589 dyne/cm; (17)Density: 1.403 g/cm3; (18)Flash Point: 123.929 °C; (19)Enthalpy of Vaporization: 54.935 kJ/mol; (20)Boiling Point: 281.305 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Oc1ccccc1/C=C/C(O)=O
(2) InChI: InChI=1/C10H7F3O3/c11-10(12,13)16-8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
(3) InChIKey: RTCUAUKXVCMIBS-AATRIKPKBQ