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CAS No.: | 179060-28-7 |
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Name: | TERT-BUTYL 4,7-DIHYDROFURO[2,3-C]PYRIDINE-6(5H)-CARBOXYLATE |
Molecular Structure: | |
Formula: | C12H17NO3 |
Molecular Weight: | 223.272 |
Synonyms: | Furo[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester; |
Density: | 1.131 g/cm3 |
Boiling Point: | 309.5 °C at 760 mmHg |
Flash Point: | 141 °C |
PSA: | 42.68000 |
LogP: | 2.51070 |
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The tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate, with the CAS registry number 179060-28-7, is also known as Furo[2,3-c]pyridine-6(5H)-carboxylic acid, 4,7-dihydro-, 1,1-dimethylethyl ester. This chemical's molecular formula is C12H17NO3 and molecular weight is 223.2683. Its systematic name is called tert-butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate.
Physical properties of tert-Butyl 4,7-dihydrofuro[2,3-c]pyridine-6(5H)-carboxylate: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.1; (4)ACD/BCF (pH 5.5): 23.42; (5)ACD/BCF (pH 7.4): 23.42; (6)ACD/KOC (pH 5.5): 332.63; (7)ACD/KOC (pH 7.4): 332.63; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.511; (11)Molar Refractivity: 59.1 cm3; (12)Molar Volume: 197.3 cm3; (13)Surface Tension: 40 dyne/cm; (14)Density: 1.131 g/cm3; (15)Flash Point: 141 °C; (16)Enthalpy of Vaporization: 55.03 kJ/mol; (17)Boiling Point: 309.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000636 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N2CCc1c(occ1)C2
(2)InChI: InChI=1/C12H17NO3/c1-12(2,3)16-11(14)13-6-4-9-5-7-15-10(9)8-13/h5,7H,4,6,8H2,1-3H3
(3)InChIKey: AAPUUGDFHOCKDP-UHFFFAOYAZ