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CAS No.: | 206559-61-7 |
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Name: | 7-ETHOXYBENZOFURAN-2-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C11H10O4 |
Molecular Weight: | 206.19 |
Synonyms: | 7-Ethoxy-1-benzofuran-2-carboxylic acid;7-Ethoxybenzo[b]furan-2-carboxylic acid; |
Density: | 1.293 g/cm3 |
Melting Point: | 195-199 °C |
Boiling Point: | 361.4 °C at 760 mmHg |
Flash Point: | 172.4 °C |
Appearance: | off-white powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 59.67000 |
LogP: | 2.52970 |
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The 2-Benzofurancarboxylicacid, 7-ethoxy-, with the CAS registry number 206559-61-7, is also known as 7-Ethoxybenzo[b]furan-2-carboxylic acid. It belongs to the product category of Ethoxy. This chemical's molecular formula is C11H10O4 and molecular weight is 206.19. What's more, its systematic name is 7-ethoxy-1-benzofuran-2-carboxylic acid. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light. When using it, you must avoid contact with skin and eyes.
Physical properties of 2-Benzofurancarboxylicacid, 7-ethoxy- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.27; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.67 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 54.63 cm3; (14)Molar Volume: 159.3 cm3; (15)Polarizability: 21.65×10-24cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.293 g/cm3; (18)Flash Point: 172.4 °C; (19)Enthalpy of Vaporization: 64.07 kJ/mol; (20)Boiling Point: 361.4 °C at 760 mmHg; (21)Vapour Pressure: 7.44E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC2=C1OC(=C2)C(=O)O
(2)InChI: InChI=1S/C11H10O4/c1-2-14-8-5-3-4-7-6-9(11(12)13)15-10(7)8/h3-6H,2H2,1H3,(H,12,13)
(3)InChIKey: DQJVZIUEXPTEKX-UHFFFAOYSA-N