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CAS No.: | 916902-55-1 |
---|---|
Name: | 6-Hydroxymethyl-1H-indazole |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.164 |
Synonyms: | (1H-indazol-6-yl)methanol; |
Density: | 1.36 g/cm3 |
Melting Point: | 159 °C |
Boiling Point: | 380.3 °C at 760 mmHg |
Flash Point: | 183.8 °C |
PSA: | 48.91000 |
LogP: | 1.05520 |
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The 6-Hydroxymethyl-1H-indazole has the CAS registry number 916902-55-1. It belongs to the product categories of Building Blocks; Indazole. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16. What's more, its systematic name is 1H-indazol-6-ylmethanol.
Physical properties of 6-Hydroxymethyl-1H-indazole are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.91 Å2; (9)Index of Refraction: 1.721; (10)Molar Refractivity: 43.07 cm3; (11)Molar Volume: 108.9 cm3; (12)Polarizability: 17.07×10-24cm3; (13)Surface Tension: 73 dyne/cm; (14)Density: 1.36 g/cm3; (15)Flash Point: 183.8 °C; (16)Enthalpy of Vaporization: 66.29 kJ/mol; (17)Boiling Point: 380.3 °C at 760 mmHg; (18)Vapour Pressure: 1.84E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cn[nH]c2cc1CO
(2)InChI: InChI=1S/C8H8N2O/c11-5-6-1-2-7-4-9-10-8(7)3-6/h1-4,11H,5H2,(H,9,10)
(3)InChIKey: WZCQPVLAXQMTJO-UHFFFAOYSA-N