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1,3-Thiazol-5-ylacetic acid

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Name

1,3-Thiazol-5-ylacetic acid

EINECS
CAS No. 52454-63-4 Density 1.437 g/cm3
Solubility Melting Point
Formula C5H5NO2S Boiling Point 313.7 °C at 760 mmHg
Molecular Weight 143.16 Flash Point 143.5 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 52454-63-4 (1,3-THIAZOL-5-YLACETIC ACID) Hazard Symbols
Synonyms

5-Thiazoleacetic acid;

 

1,3-Thiazol-5-ylacetic acid Specification

The 1,3-Thiazol-5-ylacetic acid has the CAS registry number 52454-63-4. It belongs to the product categories of Pyridine. This chemical's molecular formula is C5H5NO2S and molecular weight is 143.16. What's more, its systematic name is 1,3-thiazol-5-ylacetic acid. 

Physical properties of 1,3-Thiazol-5-ylacetic acid are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 33.84 cm3; (13)Molar Volume: 99.5 cm3; (14)Polarizability: 13.41×10-24 cm3; (15)Surface Tension: 65.2 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 143.5 °C; (18)Enthalpy of Vaporization: 58.58 kJ/mol; (19)Boiling Point: 313.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000208 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)Cc1scnc1
(2)InChI: InChI=1/C5H5NO2S/c7-5(8)1-4-2-6-3-9-4/h2-3H,1H2,(H,7,8)
(3)InChIKey: KOQNISNMBYPFKQ-UHFFFAOYAI

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