3-Pyridinecarboxylicacid, 6-(1-methylethoxy)- supplier

Name
6-ISOPROPOXYPYRIDINE-3-CARBOXYLIC ACID
EINECS
CAS No. 223127-05-7
Article Data3
CAS DataBase
Density 1.187 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₃
Boiling Point 300.4 °C at 760 mmHg
Molecular Weight 181.191
Flash Point 135.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Isopropoxy-nicotinic acid;
PSA 59.42000
LogP 1.56700

3-Pyridinecarboxylicacid, 6-(1-methylethoxy)- Specification

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

Product Name

6-ISOPROPOXYPYRIDINE-3-CARBOXYLIC ACID

3-Pyridinecarboxylicacid, 6-(1-methylethoxy)- Specification

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