Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1,1-Cyclopropanedicarboxylic acid monomethyl ester |
EINECS | N/A |
CAS No. | 113020-21-6 | Density | 1.42 g/cm3 |
PSA | 63.60000 | LogP | 0.02420 |
Solubility | Slightly soluble in water. | Melting Point |
47-51 °C |
Formula | C6H8O4 | Boiling Point | 245.293 °C at 760 mmHg |
Molecular Weight | 144.127 | Flash Point | 103.75 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 45 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-(Methoxycarbonyl)cyclopropanecarboxylic acid;Methyl hydrogen cyclopropane-1,1-dicarboxylate;1,1-Cyclopropanedicarboxylicacid, monomethyl ester (9CI);1-(Methoxycarbonyl)cyclopropane-1-carboxylicacid; |
Article Data | 20 |
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:
(1)SMILES: OC(=O)C1(CC1)C(=O)OC
(2)InChI: InChI=1/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
(3)InChIKey: IZYOHLOUZVEIOS-UHFFFAOYAM