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7-Hydroxy-1,4-benzodioxan-6-carboxylic acid

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  • Name 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid
  • EINECSN/A
  • CAS No. 197584-99-9
  • Density1.516 g/cm3
  • PSA75.99000
  • LogP0.86160
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H8O5
  • Boiling Point390.7 °C at 760 mmHg
  • Molecular Weight196.16
  • Flash Point163.5 °C
  • Transport InformationN/A
  • AppearanceWhite solid
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 197584-99-9 (7-Hydroxy-1,4-benzodioxan-6-carboxylic Acid)
  • Hazard SymbolsN/A
  • SynonymsN/A

7-Hydroxy-1,4-benzodioxan-6-carboxylic acid Specification

The 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid, with the CAS registry number 197584-99-9, is also known as 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid. This chemical's molecular formula is C9H8O5 and molecular weight is 196.16. What's more, its systematic name is 7-Hydroxy-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid.

Physical properties of 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid are: (1)ACD/LogP: 2.12; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 75.99 Å2; (11)Index of Refraction: 1.627; (12)Molar Refractivity: 45.83 cm3; (13)Molar Volume: 129.3 cm3; (14)Polarizability: 18.17×10-24 cm3; (15)Surface Tension: 74.4 dyne/cm; (16)Density: 1.516 g/cm3; (17)Flash Point: 163.5 °C; (18)Enthalpy of Vaporization: 67.52 kJ/mol; (19)Boiling Point: 390.7 °C at 760 mmHg; (20)Vapour Pressure: 8.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc2OCCOc2cc1O
(2)InChI: InChI=1S/C9H8O5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2,(H,11,12)
(3)InChIKey: IKCKXQPXYWBQSB-UHFFFAOYSA-N

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