5-Propylisoxazole-3-carboxylic acid supplier

Name
5-PROPYL-ISOXAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 89776-75-0
Article Data2
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₇H₉NO₃
Boiling Point 321.5 °C at 760 mmHg
Molecular Weight 155.153
Flash Point 148.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Propyl-3-isoxazolecarboxylicacid;
PSA 63.33000
LogP 1.32530

5-Propylisoxazole-3-carboxylic acid Specification

The 3-Isoxazolecarboxylicacid, 5-propyl-, with the CAS registry number 89776-75-0, is also known as 5-Propyl-3-isoxazolecarboxylic acid. It belongs to the product category of Oxazole. This chemical's molecular formula is C₇H₉NO₃ and molecular weight is 155.15. Its IUPAC name is called 5-propyl-1,2-oxazole-3-carboxylic acid.

Physical properties of 3-Isoxazolecarboxylicacid, 5-propyl-: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): -0.28; (3)ACD/LogD (pH 7.4): -1.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.01; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 37.75 cm³; (13)Molar Volume: 127.3 cm³; (14)Surface Tension: 47.3 dyne/cm; (15)Density: 1.218 g/cm³; (16)Flash Point: 148.2 °C; (17)Enthalpy of Vaporization: 59.46 kJ/mol; (18)Boiling Point: 321.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=CC(=NO1)C(=O)O
(2)InChI: InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)8-11-5/h4H,2-3H2,1H3,(H,9,10)
(3)InChIKey: ZXWHSBZHRVKCGZ-UHFFFAOYSA-N

Product Name

5-PROPYL-ISOXAZOLE-3-CARBOXYLIC ACID

5-Propylisoxazole-3-carboxylic acid Specification

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