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1,1-Cyclopropanedicarboxylic acid monomethyl ester

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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 Molecular Structure of 113020-21-6 (1,1-Cyclopropanedicarboxylic acid monomethyl ester) Hazard Symbols IrritantXi
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

1,1-Cyclopropanedicarboxylic acid monomethyl ester 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:
(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

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