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121250-04-2

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Basic Information
CAS No.: 121250-04-2
Name: (R)-3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID
Article Data: 4
Molecular Structure:
Molecular Structure of 121250-04-2 ((R)-3,3,3-TRIFLUORO-2-HYDROXYPROPIONIC ACID)
Formula: C3H3F3O3
Molecular Weight: 144.05
Synonyms: Propanoicacid, 3,3,3-trifluoro-2-hydroxy-, (R)-;
Density: 1.656 g/cm3
Melting Point: 66-71 °C
Boiling Point: 256.4 °C at 760 mmHg
Flash Point: 108.9 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive/Hygroscopic;  C:Corrosive/Hygroscopic;
PSA: 57.53000
LogP: -0.00580
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Specification

The Propanoic acid, 3, 3, 3-trifluoro-2-hydroxy-, (2R)-, with the CAS registry number of 121250-04-2, is also known as (R)-2-Hydroxy-3, 3, 3-trifluoropropionic acid. This chemical's molecular formula is C3H3F3O3 and molecular weight is 144.05. What's more, its systematic name is called (2R)-3, 3, 3-Trifluoro-2-hydroxypropanoic acid. Besides, this chemical that may destroy living tissue on contact.

Physical properties about Propanoic acid, 3, 3, 3-trifluoro-2-hydroxy-, (2R)- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -2.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.365; (14)Molar Refractivity: 19.46 cm3; (15)Molar Volume: 86.9 cm3; (16)Surface Tension: 34.6 dyne/cm; (17)Density: 1.656 g/cm3; (18)Flash Point: 108.9 °C; (19)Enthalpy of Vaporization: 57.38 kJ/mol; (20)Boiling Point: 256.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00231 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)[C@H](O)C(=O)O
(2) InChI: InChI=1/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
(3) InChIKey: BVKGUTLIPHZYCX-PVQJCKRUBQ