CAS No.4498-72-0,1-(1H-INDAZOL-3-YL)ETHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4498-72-0
Name:	1-(1H-INDAZOL-3-YL)ETHANONE
Article Data:	3

Formula:	C₉H₈N₂O
Molecular Weight:	160.175
Synonyms:	Ketone,1H-indazol-3-yl methyl (6CI);1-(1H-Indazol-3-yl)ethanone;3-Acetylindazole;
Density:	1.265 g/cm³
Melting Point:	182 °C
Boiling Point:	348.843 °C at 760 mmHg
Flash Point:	168.831 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	45.75000
LogP:	1.76550

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Specification

This chemical is called Ethanone,1-(1H-indazol-3-yl)-, and its systematic name is 1-(1H-Indazol-3-yl)ethanone. With the molecular formula of C₉H₈N₂O, its molecular weight is 160.17. The CAS registry number of this chemical is 4498-72-0. Additionally, its product category is Acetylgroup.

Other characteristics of the Ethanone,1-(1H-indazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 116; (8)ACD/KOC (pH 7.4): 116; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 46.648 cm³; (15)Molar Volume: 126.626 cm³; (16)Polarizability: 18.493×10^-24cm³; (17)Surface Tension: 58.397 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 168.831 °C; (20)Enthalpy of Vaporization: 59.327 kJ/mol; (21)Boiling Point: 348.843 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(=O)c2nnc1ccccc12
2.InChI: InChI=1/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)
3.InChIKey: BJEQUPDOOXOTLG-UHFFFAOYAM