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| CAS No.: | 1489-58-3 |
|---|---|
| Name: | cis/trans 1,2-cyclopropanedicarboxylic acid |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C5H6O4 |
| Molecular Weight: | 130.1 |
| Synonyms: | NSC 117267; |
| Density: | 1.673 g/cm3 |
| Boiling Point: | 305.8 °C at 760 mmHg |
| Flash Point: | 153 °C |
| PSA: | 74.60000 |
| LogP: | -0.20830 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 1,2-Cyclopropanedicarboxylicacid, and its systematic name is cyclopropane-1,2-dicarboxylic acid. With the molecular formula of C5H6O4, its molecular weight is 130.098. The CAS registry number of this chemical is 1489-58-3. Additionally, its product category is Cycloalkanes.
Other characteristics of the 1,2-Cyclopropanedicarboxylicacid can be summarised as followings: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -5.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 26.04 cm3; (15)Molar Volume: 77.7 cm3; (16)Polarizability: 10.32×10-24cm3; (17)Surface Tension: 92.2 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 153 °C; (20)Enthalpy of Vaporization: 60.08 kJ/mol; (21)Boiling Point: 305.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000183 mmHg at 25°C.
Uses of this chemical: The cyclopropane-1,2-dicarboxylic acid anhydride could be obtained by the 1,2-Cyclopropanedicarboxylicacid. This reaction needs the reagent of Ac2O. The yield is 80 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)C1C(C(=O)O)C1
2.InChI: InChI=1/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)
3.InChIKey: RLWFMZKPPHHHCB-UHFFFAOYAD