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Basic Information
CAS No.: 54440-92-5
Name: 5-(Dihydroxyacetyl)-2-hydroxy-benzoic acid
Molecular Structure:
Molecular Structure of 54440-92-5 (5-(Dihydroxyacetyl)-2-hydroxy-benzoic acid)
Formula: C9H8O6
Molecular Weight: 212.16
Synonyms: Benzoic acid, 5-(2,2-dihydroxyacetyl)-2-hydroxy-;
Density: 1.666 g/cm3
Boiling Point: 497.5 °C at 760 mmHg
Flash Point: 268.8 °C
PSA: 115.06000
LogP: -0.41620
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Specification

The 5-(Dihydroxyacetyl)-2-hydroxy-benzoic acid, with the CAS registry number 54440-92-5, is also known as Benzoic acid, 5-(2, 2-dihydroxyacetyl)-2-hydroxy-. This chemical's molecular formula is C9H8O6 and molecular weight is 212.16. What's more, its systematic name is 5-(2, 2-Dihydroxyacetyl)-2-hydroxy-benzoic acid.

Physical properties about 5-(Dihydroxyacetyl)-2-hydroxy-benzoic acid are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 115.06 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 48.12 cm3; (9)Molar Volume: 127.3 cm3; (10)Polarizability: 19.07×10-24 cm3; (11)Surface Tension: 97.8 dyne/cm; (12)Density: 1.666 g/cm3; (13)Flash Point: 268.8 °C; (14)Enthalpy of Vaporization: 80.61 kJ/mol; (15)Boiling Point: 497.5 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(ccc1O)C(=O)C(O)O
(2) InChI: InChI=1/C9H8O6/c10-6-2-1-4(7(11)9(14)15)3-5(6)8(12)13/h1-3,9-10,14-15H,(H,12,13)
(3) InChIKey: QCDSEASVTGSZGI-UHFFFAOYAF