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CAS No.: | 638217-08-0 |
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Name: | 6-Hydroxy-N,2-dimethylbenzofuran-3-carboxamide |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C11H11NO3 |
Molecular Weight: | 205.213 |
Synonyms: | 6-Hydroxy-N-methyl-2-methyl-1-benzofuran-3-carboxamide; |
Density: | 1.271 g/cm3 |
Boiling Point: | 259.1 °C at 760 mmHg |
Flash Point: | 110.5 °C |
PSA: | 65.96000 |
LogP: | 2.38120 |
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This chemical is called 6-Hydroxy-N,2-dimethylbenzofuran-3-carboxamide, and it can also be named as 3-benzofurancarboxamide, 6-hydroxy-N,2-dimethyl-. With the molecular formula of C11H11NO3, its molecular weight is 205.21. The CAS registry number of this chemical is 638217-08-0。
Other characteristics of the 6-Hydroxy-N,2-dimethylbenzofuran-3-carboxamide can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.6; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 87.12; (8)ACD/KOC (pH 7.4): 84.52; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.47 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 56.72 cm3; (15)Molar Volume: 161.3 cm3; (16)Polarizability: 22.48×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 110.5 °C; (20)Enthalpy of Vaporization: 51.68 kJ/mol; (21)Boiling Point: 259.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00819 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CNC(=O)c1c2ccc(O)cc2oc1C
2.InChI: InChI=1/C11H11NO3/c1-6-10(11(14)12-2)8-4-3-7(13)5-9(8)15-6/h3-5,13H,1-2H3,(H,12,14)
3.InChIKey: NUAOQCHBPXUPID-UHFFFAOYAO