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CAS No.: | 62119-70-4 |
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Name: | 2-Benzofuranacetic acid |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H8O3 |
Molecular Weight: | 176.172 |
Synonyms: | 2-(Benzofuran-2-yl)aceticacid;2-Benzofuranylacetic acid; |
Density: | 1.317 g/cm3 |
Melting Point: | 97-98oC |
Boiling Point: | 331.086 °C at 760 mmHg |
Flash Point: | 154.036 °C |
PSA: | 50.44000 |
LogP: | 2.05990 |
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The 2-Benzofuranacetic acid is an organic compound with the formula C10H8O3. With the CAS registry number 62119-70-4, the systematic name of this chemical is 1-benzofuran-2-ylacetic acid.
Physical properties about 2-Benzofuranacetic acid are: (1)ACD/LogP: 2.31; (2)ACD/LogD (pH 7.4): -2; (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: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 50.44 Å2; (11)Index of Refraction: 1.628; (12)Molar Refractivity: 47.509 cm3; (13)Molar Volume: 133.787 cm3; (14)Polarizability: 18.834×10-24cm3; (15)Surface Tension: 54.482 dyne/cm; (16)Density: 1.317 g/cm3; (17)Flash Point: 154.036 °C; (18)Enthalpy of Vaporization: 60.56 kJ/mol; (19)Boiling Point: 331.086 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)Cc2oc1ccccc1c2
(2)InChI: InChI=1/C10H8O3/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
(3)InChIKey: ZYIXXVCNAOYWQA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H8O3/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
(5)Std. InChIKey: ZYIXXVCNAOYWQA-UHFFFAOYSA-N