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CAS No.: | 223127-05-7 |
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Name: | 6-ISOPROPOXYPYRIDINE-3-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H11NO3 |
Molecular Weight: | 181.191 |
Synonyms: | 6-Isopropoxy-nicotinic acid; |
Density: | 1.187 g/cm3 |
Boiling Point: | 300.4 °C at 760 mmHg |
Flash Point: | 135.5 °C |
PSA: | 59.42000 |
LogP: | 1.56700 |
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The 3-Pyridinecarboxylicacid, 6-(1-methylethoxy)-, with the CAS registry number 223127-05-7, is also known as 6-Isopropoxy-nicotinic acid. This chemical's molecular formula is C9H11NO3 and molecular weight is 181.1885. What's more, its systematic name is called 6-(Propan-2-yloxy)pyridine-3-carboxylic acid.
Physical properties about 3-Pyridinecarboxylicacid, 6-(1-methylethoxy)- are: (1)ACD/LogP: 1.77; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.11; (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: 59.42 Å2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 47.17 cm3; (14)Molar Volume: 152.5 cm3; (15)Polarizability: 18.7×10-24 cm3; (16)Surface Tension: 45.9 dyne/cm; (17)Density: 1.187 g/cm3; (18)Flash Point: 135.5 °C; (19)Enthalpy of Vaporization: 57.07 kJ/mol; (20)Boiling Point: 300.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000501 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)Oc1ccc(cn1)C(O)=O
(2) InChI: InChI=1/C9H11NO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6H,1-2H3,(H,11,12)
(3) InChIKey: OOIMOWCIYNEWCF-UHFFFAOYAL