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1H-Indazole-3-aceticacid

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Name

1H-Indazole-3-aceticacid

EINECS
CAS No. 26663-42-3 Density 1.438 g/cm3
Solubility Melting Point
Formula C9H8N2O2 Boiling Point 434.3 °C at 760 mmHg
Molecular Weight 176.17 Flash Point 216.457 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 26663-42-3 (1H-Indazole-3-aceticacid) Hazard Symbols
Synonyms

(1H-indazol-3-yl)-acetic acid;1H-indazol-3-ylacetic acid;2-(1H-indazol-3-yl)acetic acid;

 

1H-Indazole-3-aceticacid Specification

The 1H-Indazole-3-aceticacid, with the CAS registry number 26663-42-3, is also known as 2-(1H-Indazol-3-yl)acetic acid. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. What's more, its systematic name is 1H-indazol-3-ylacetic acid. 

Physical properties of 1H-Indazole-3-aceticacid are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 65.98 Å2; (11)Index of Refraction: 1.707; (12)Molar Refractivity: 47.734 cm3; (13)Molar Volume: 122.538 cm3; (14)Polarizability: 18.923×10-24cm3; (15)Surface Tension: 77.221 dyne/cm; (16)Density: 1.438 g/cm3; (17)Flash Point: 216.457 °C; (18) Enthalpy of Vaporization: 72.771 kJ/mol; (19)Boiling Point: 434.3 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)Cc2nnc1ccccc12
(2)Std. InChI: InChI=1S/C9H8N2O2/c12-9(13)5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,5H2,(H,10,11)(H,12,13)
(3)Std. InChIKey: JEEDFPVACIKHEU-UHFFFAOYSA-N

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