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13472-62-3

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Basic Information
CAS No.: 13472-62-3
Name: 2-oxopyridinium chloride
Molecular Structure:
Molecular Structure of 13472-62-3 (2-oxopyridinium chloride)
Formula: C5H6ClNO
Molecular Weight: 131.562
Synonyms: 2(1H)-Pyridinone, hydrochloride (9CI);2-Pyridinol, hydrochloride(8CI);
EINECS: 236-746-0
Melting Point: 170-180 °C
Boiling Point: 330.9 °C at 760 mmHg
Flash Point: 153.9 °C
PSA: 33.68000
LogP: -2.26690
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Specification

This chemical is called 2(1H)-Pyridinone, hydrochloride (1:1), and it's also named as 2-Oxopyridinium chloride. With the molecular formula of C5H6ClNO, its molecular weight is 131.56024. The CAS registry number of this chemical is 13472-62-3.

Other characteristics of the 2(1H)-Pyridinone, hydrochloride (1:1) can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 11.52; (4)ACD/KOC (pH 7.4): 11.52; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 29.1 Å2; (9)Flash Point: 153.9 °C; (10)Enthalpy of Vaporization: 58.49 kJ/mol; (11)Boiling Point: 330.9 °C at 760 mmHg; (12)Vapour Pressure: 0.000117 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.O=C1/C=C\C=C/N1
2.InChI: InChI=1/C5H5NO.ClH/c7-5-3-1-2-4-6-5;/h1-4H,(H,6,7);1H
3.InChIKey: NRGKFNDKBDBBGY-UHFFFAOYAK