| Identification | |
| Name: | 1,1-Cyclopropanedicarboxylicacid, 1-methyl ester |
| Synonyms: | 1-(Methoxycarbonyl)cyclopropanecarboxylic acid;Methyl hydrogen cyclopropane-1,1-dicarboxylate;1,1-Cyclopropanedicarboxylicacid, monomethyl ester (9CI);1-(Methoxycarbonyl)cyclopropane-1-carboxylicacid; |
| CAS: | 113020-21-6 |
| Molecular Formula: | C6H8O4 |
| Molecular Weight: | 144.13 |
| InChI: | InChI=1/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.419 |
| Refractive index: | 1.519 |
| Water Solubility: | at 25 deg C (mg/L): 9.349e+004 |
| Solubility: | at 25 deg C (mg/L): 9.349e+004 |
| Specification: |
The 1,1-Cyclopropanedicarboxylic acid monomethyl ester, with the CAS registry number 113020-21-6, has the systematic name of 1-(methoxycarbonyl)cyclopropanecarboxylic acid. It belongs to the product categories of Carboxylicester and API intermediates. And the molecular formula of the chemical is C6H8O4. The characteristics of 1,1-Cyclopropanedicarboxylic acid monomethyl ester are as followings: (1)ACD/LogP: -0.41; (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: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.6 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 30.798 cm3; (13)Molar Volume: 101.532 cm3; (14)Polarizability: 12.209×10-24cm3; (15)Surface Tension: 61.785 dyne/cm; (16)Density: 1.42 g/cm3; (17)Flash Point: 103.75 °C; (18)Enthalpy of Vaporization: 53.121 kJ/mol; (19)Boiling Point: 245.293 °C at 760 mmHg; (20)Vapour Pressure: 0.009 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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