68307-91-5

This chemical is called 2-Butenedioic acid(2Z)-, monocastor oil alkyl esters, and its systematic name is (2Z)-but-2-enedioic acid. With the molecular formula of C₄H₄O₄, its molecular weight is 116.07. The CAS registry number of the chemical is 68307-91-5. 

Other characteristics of 2-Butenedioic acid(2Z)-, monocastor oil alkyl esters can be summarised as followings: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 23.76 cm³; (13)Molar Volume: 77.4 cm³; (14)Polarizability: 9.42×10^-24cm³; (15)Surface Tension: 67.6 dyne/cm; (16)Density: 1.499 g/cm³; (17)Flash Point: 183 °C; (18)Enthalpy of Vaporization: 65.99 kJ/mol; (19)Boiling Point: 355.5 °C at 760 mmHg; (20)Vapour Pressure: 5.19E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)\C=C/C(=O)O
2.InChI: InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
3.InChIKey: VZCYOOQTPOCHFL-UPHRSURJBG
4.Std. InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
5.Std. InChIKey: VZCYOOQTPOCHFL-UPHRSURJSA-N