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The Propanedioic acid,2-(methoxymethylene)-, 1,3-dimethyl ester, with CAS registry number 22398-14-7, has the systematic name of dimethyl (methoxymethylidene)propanedioate. This chemical is a kind of white crystalline solid. And the chemical formula of this chemical is C7H10O5. What's more, its EINECS is 244-957-4.
Physical properties of Propanedioic acid,2-(methoxymethylene)-, 1,3-dimethyl ester: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.16; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.54; (8)ACD/KOC (pH 7.4): 19.54; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 39.67 cm3; (15)Molar Volume: 150.8 cm3; (16)Polarizability: 15.72×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 78.1 °C; (20)Enthalpy of Vaporization: 43.87 kJ/mol; (21)Boiling Point: 202.5 °C at 760 mmHg; (22)Vapour Pressure: 0.292 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Propanedioic acid,2-(methoxymethylene)-, 1,3-dimethyl ester irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. And it may cause sensitization by skin contact. You should avoid contact with skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C(=C\OC)C(=O)OC
(2)InChI: InChI=1/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
(3)InChIKey: RHFZTBSULNJWEI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
(5)Std. InChIKey: RHFZTBSULNJWEI-UHFFFAOYSA-N