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2-(Hydroxymethyl)thiazole-4-carboxylic acid

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  • Name 2-(Hydroxymethyl)thiazole-4-carboxylic acid
  • EINECSN/A
  • CAS No. 221322-09-4
  • Density1.616 g/cm3
  • PSA98.66000
  • LogP0.33360
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H5NO3S
  • Boiling Point376.9 °C at 760 mmHg
  • Molecular Weight159.166
  • Flash Point181.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 221322-09-4 (4-Thiazolecarboxylic acid, 2-(hydroxymethyl)- (9CI))
  • Hazard SymbolsN/A
  • SynonymsN/A

2-(Hydroxymethyl)thiazole-4-carboxylic acid Specification

This chemical is called 2-(Hydroxymethyl)thiazole-4-carboxylic acid, and it can also be named as 4-thiazolecarboxylic acid, 2-(hydroxymethyl)-. With the molecular formula of C5H5NO3S, its molecular weight is 159.16. The CAS registry number of this chemical is 221322-09-4, and its product categories are Aldehyde; Carboxylicacid.

Other characteristics of the 2-(Hydroxymethyl)thiazole-4-carboxylic acid can be summarised as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 98.66 Å2; (10)Index of Refraction: 1.654; (11)Molar Refractivity: 36.1 cm3; (12)Molar Volume: 98.4 cm3; (13)Polarizability: 14.31×10-24cm3; (14)Surface Tension: 86.3 dyne/cm; (15)Density: 1.616 g/cm3; (16)Flash Point: 181.7 °C; (17)Enthalpy of Vaporization: 65.89 kJ/mol; (18)Boiling Point: 376.9 °C at 760 mmHg; (19)Vapour Pressure: 2.37E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c1csc(CO)n1
2.InChI: InChI=1/C5H5NO3S/c7-1-4-6-3(2-10-4)5(8)9/h2,7H,1H2,(H,8,9)
3.InChIKey: YCWNCBVSNHZJMF-UHFFFAOYAL

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