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CAS No.: | 28241-99-8 |
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Name: | 1-(5-HYDROXY-2-METHYL-BENZOFURAN-3-YL)-ETHANONE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H10O3 |
Molecular Weight: | 190.1953 |
Synonyms: | Ketone,5-hydroxy-2-methyl-3-benzofuranyl methyl (6CI,7CI,8CI);2-Methyl-3-acetyl-5-hydroxybenzofuran;3-Acetyl-5-hydroxy-2-methylbenzofuran; |
Density: | 1.246 g/cm3 |
Melting Point: | 238℃ |
Boiling Point: | 344 °C at 760 mmHg |
Flash Point: | 161.9 °C |
PSA: | 50.44000 |
LogP: | 2.64940 |
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The Ethanone,1-(5-hydroxy-2-methyl-3-benzofuranyl)-, with the CAS registry number 28241-99-8, is also known as 3-Acetyl-5-hydroxy-2-methylbenzofuran. This chemical's molecular formula is C11H10O3 and molecular weight is 190.1953. What's more, its systematic name is 1-(5-Hydroxy-2-methyl-1-benzofuran-3-yl)ethanone.
Physical properties about Ethanone,1-(5-hydroxy-2-methyl-3-benzofuranyl)-: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.44 Å2; (7)Index of Refraction: 1.613; (8)Molar Refractivity: 53.12 cm3; (9)Molar Volume: 152.5 cm3; (10)Surface Tension: 48.6 dyne/cm; (11)Density: 1.246 g/cm3; (12)Flash Point: 161.9 °C; (13)Enthalpy of Vaporization: 61.12 kJ/mol; (14)Boiling Point: 344 °C at 760 mmHg; (15)Vapour Pressure: 3.4E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1c2cc(O)ccc2oc1C)C
(2) InChI: InChI=1/C11H10O3/c1-6(12)11-7(2)14-10-4-3-8(13)5-9(10)11/h3-5,13H,1-2H3
(3) InChIKey: SPVYQEMDTUNTIB-UHFFFAOYAW