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| CAS No.: | 5904-71-2 |
|---|---|
| Name: | METHYL 5-FORMYL-2-FUROATE |
| Molecular Structure: | |
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| Formula: | C7H6O4 |
| Molecular Weight: | 154.122 |
| Synonyms: | Methyl 5-formylfuran-2-carboxylate;Methyl 5-formyl-2-furoate; |
| Density: | 1.265 g/cm3 |
| Melting Point: | 87-88℃ |
| Boiling Point: | 267.894 °C at 760 mmHg |
| Flash Point: | 115.819 °C |
| PSA: | 56.51000 |
| LogP: | 0.87870 |
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- Total:15 Page 1 of 1 1
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Specification
The Methyl 5-formyl-2-furancarboxylate, with the CAS registry number 5904-71-2, is also known as Methyl 5-formyl-2-furoate. This chemical's molecular formula is C7H6O4 and molecular weight is 154.12. What's more, its systematic name is methyl 5-formylfuran-2-carboxylate.
Physical properties of Methyl 5-formyl-2-furancarboxylate are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.51 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 37.079 cm3; (15)Molar Volume: 121.787 cm3; (16)Polarizability: 14.699×10-24cm3; (17)Surface Tension: 42.613 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 115.819 °C; (20)Enthalpy of Vaporization: 50.594 kJ/mol; (21)Boiling Point: 267.894 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC=C(O1)C=O
(2)InChI: InChI=1S/C7H6O4/c1-10-7(9)6-3-2-5(4-8)11-6/h2-4H,1H3
(3)InChIKey: KDPOOUQFAUOHHX-UHFFFAOYSA-N