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51100-43-7

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Basic Information
CAS No.: 51100-43-7
Name: 2(1H)-Pyridinone, 6-hydroxy-, sulfate (1:1) (salt)
Molecular Structure:
Molecular Structure of 51100-43-7 (2(1H)-Pyridinone, 6-hydroxy-, sulfate (1:1) (salt))
Formula: C5H7NO6S
Molecular Weight: 209.18
Synonyms: 6-Hydroxypyridin-2(1H)-one sulfate (1:1);6-Hydroxy-1H-pyridin-2-one; sulfuric acid;2(1H)-Pyridinone, 6-hydroxy-, sulfate (1:1) (salt) (9CI);
EINECS: 259-962-7
Density: g/cm3
Boiling Point: 387.2 °C at 760 mmHg
Flash Point: 188 °C
PSA: 189.68000
LogP: 1.41360
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Specification

The 2(1H)-Pyridinone, 6-hydroxy-, sulfate (1:1) (salt), with the CAS registry number 51100-43-7, is also known as 6-Hydroxypyridin-2(1H)-one sulfate (1:1). Its EINECS number is 259-962-7. This chemical's molecular formula is C5H7NO6S and molecular weight is 209.18. What's more, its systematic name is 6-hydroxy-1H-pyridin-2-one; sulfuric acid.

Physical properties of 2(1H)-Pyridinone, 6-hydroxy-, sulfate (1:1) (salt) are: (1)ACD/LogP; -0.82; (2)# of Rule of 5 Violations; 0; (3)#H bond acceptors; 3; (4)#H bond donors; 2; (5)#Freely Rotating Bonds; 1; (6)Polar Surface Area; 29.54 Å2; (7)Flash Point; 188 °C; (8)Enthalpy of Vaporization; 73.58 kJ/mol; (9)Boiling Point; 387.2 °C at 760 mmHg; (10)Vapour Pressure; 1.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=O)NC(=C1)O.OS(=O)(=O)O
(2)InChI: InChI=1S/C5H5NO2.H2O4S/c7-4-2-1-3-5(8)6-4;1-5(2,3)4/h1-3H,(H2,6,7,8);(H2,1,2,3,4)
(3)InChIKey: JAGQQVFIGXVVPO-UHFFFAOYSA-N