This product is an organic compound with the formula C4H4O5. The systematic name of this chemical is Oxirane-2,3-dicarboxylic acid. With the CAS registry number 3272-11-5, it is also named as Ethylene oxide-1,2-dicarboxylic acid. In addition, the molecular weight is 132.07 and its EINECS number is 221-900-1.
Physical properties of Oxirane-2,3-dicarboxylic acid are: (1)ACD/LogP: -1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.01; (4)ACD/LogD (pH 7.4): -5.99; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.13 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 23.04 cm3; (15)Molar Volume: 68.7 cm3; (16)Polarizability: 9.13×10-24 cm3; (17)Surface Tension: 106.9 dyne/cm; (18)Density: 1.92 g/cm3; (19)Flash Point: 215.7 °C; (20)Enthalpy of Vaporization: 79.92 kJ/mol; (21)Boiling Point: 467.5 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1(C(O1)C(=O)O)C(=O)O
(2)InChI: InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)
(3)InChIKey: DCEMCPAKSGRHCN-UHFFFAOYSA-N
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