The 2,3-Oxiranedicarboxylicacid, (2R,3S)-rel-, also known as (2R,3S)-2,3-Oxiranedicarboxylic acid, is an organic compound with the formula C4H4O5. It belongs to the product categories of Epoxyde; Oxiranes; Simple 3-Membered Ring Compounds. Its EINECS registry number is 240-604-3. With the CAS registry number 16533-72-5, its systematic name is (2R,3S)-oxirane-2,3-dicarboxylic acid.
Physical properties of 2,3-Oxiranedicarboxylicacid, (2R,3S)-rel-: (1)ACD/LogP: -1.25; (2)ACD/LogD (pH 5.5): -5.01; (3)ACD/LogD (pH 7.4): -5.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.584; (12)Molar Refractivity: 23.04 cm3; (13)Molar Volume: 68.7 cm3; (14)Surface Tension: 106.9 dyne/cm; (15)Density: 1.92 g/cm3; (16)Flash Point: 215.7 °C; (17)Enthalpy of Vaporization: 79.92 kJ/mol; (18)Boiling Point: 467.5 °C at 760 mmHg; (19)Vapour Pressure: 4.95E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]1O[C@H]1C(=O)O
(2)InChI: InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
(3)InChIKey: DCEMCPAKSGRHCN-XIXRPRMCBO
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