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501653-37-8

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Basic Information
CAS No.: 501653-37-8
Name: 1-(6-amino-1H-indazol-1-yl)ethanone
Article Data: 2
Molecular Structure:
Molecular Structure of 501653-37-8 (1-(6-amino-1H-indazol-1-yl)ethanone)
Formula: C9H9N3O
Molecular Weight: 175.19
Synonyms: NSC 208699;1-(6-Amino-1H-indazol-1-yl)ethanone;
Density: 1.35 g/cm3
Boiling Point: 394.7 °C at 760 mmHg
Flash Point: 192.5 °C
PSA: 60.91000
LogP: 1.85980
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Specification

The Ethanone,1-(6-amino-1H-indazol-1-yl)- has the CAS registry number 501653-37-8. This chemical's molecular formula is C9H9N3O and molecular weight is 175.19. What's more, its systematic name is 1-(6-amino-1H-indazol-1-yl)ethanone. 

Physical properties of Ethanone,1-(6-amino-1H-indazol-1-yl)- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 38.13 Å2; (7)Index of Refraction: 1.675; (8)Molar Refractivity: 48.51 cm3; (9)Molar Volume: 129 cm3; (10)Polarizability: 19.23×10-24cm3; (11)Surface Tension: 54.9 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 192.5 °C; (14)Enthalpy of Vaporization: 64.48 kJ/mol; (15)Boiling Point: 394.7 °C at 760 mmHg; (16)Vapour Pressure: 1.94E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(n2ncc1ccc(cc12)N)C
(2)InChI: InChI=1S/C9H9N3O/c1-6(13)12-9-4-8(10)3-2-7(9)5-11-12/h2-5H,10H2,1H3
(3)InChIKey: ZFARJJGGGWHLDQ-UHFFFAOYSA-N