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167113-73-7

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Basic Information
CAS No.: 167113-73-7
Name: 1,2-Cyclopropanedicarboxylicacid,monoethylester(9CI)
Article Data: 6
Molecular Structure:
Molecular Structure of 167113-73-7 (1,2-Cyclopropanedicarboxylicacid,monoethylester(9CI))
Formula: C7H10O4
Molecular Weight: 158.1519
Synonyms: 1,2-Cyclopropanedicarboxylicacid, monoethyl ester (9CI);
Density: 1.322 g/cm3
Boiling Point: 266.8 °C at 760 mmHg
Flash Point: 109.6 °C
PSA: 63.60000
LogP: 0.27020
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Specification

This chemical is called 1,2-Cyclopropanedicarboxylicacid, 1-ethyl ester, and its systematic name is 2-(ethoxycarbonyl)cyclopropanecarboxylic acid. With the molecular formula of C7H10O4, its molecular weight is 158.1519. The CAS registry number of this chemical is 167113-73-7. Additionally, its product category is Carboxylicacid.

Other characteristics of the 1,2-Cyclopropanedicarboxylicacid, 1-ethyl ester can be summarised as followings: (1)ACD/LogP: -0.06; (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): 2.01; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 35.52 cm3; (13)Molar Volume: 119.6 cm3; (14)Polarizability: 14.08×10-24cm3; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.322 g/cm3; (17)Flash Point: 109.6 °C; (18)Enthalpy of Vaporization: 55.57 kJ/mol; (19)Boiling Point: 266.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00243 mmHg at 25°C.

Uses of this chemical: The 1,2-Cyclopropanedicarboxylicacid, 1-ethyl ester could react with N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-4,5-didehydro-L-norvalinamide to obtain the <1S-(1R*(R*),2S*,3R*)>-2-<<1-<<1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl>carbamoyl>-but-3-enyl>carbamoyl>cyclopropanecarboxylic acid. This reaction needs the reagent of 1-hydroxybenzotriazole, dicyclohexylcarbodiimide, and the solvent of dimethylformamide. The yield is 35 %.

The 1,2-Cyclopropanedicarboxylicacid, 1-ethyl ester could react with N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-4,5-didehydro-L-norvalinamide

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)C1C(C(=O)OCC)C1
2.InChI: InChI=1/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9) 
3.InChIKey: BRVQFDJETHFEQY-UHFFFAOYAY