CAS No.478828-52-3,5-HYDROXYMETHYL-1H-INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	478828-52-3
Name:	5-HYDROXYMETHYL-1H-INDAZOLE

Formula:	C₈H₈N₂O
Molecular Weight:	148.16
Synonyms:	(1H-Indazol-5-yl)methanol;5-Hydroxymethyl-1H-indazole;
EINECS:	689-336-2
Density:	1.36 g/cm³
Boiling Point:	380.3 °C at 760 mmHg
Flash Point:	183.8 °C
PSA:	48.91000
LogP:	1.05520

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Specification

The 1H-Indazole-5-methanol, with the CAS registry number of 478828-52-3, is also known as 5-Hydroxymethyl-1H-indazole. It belongs to the product category of Indazole. This chemical's molecular formula is C₈H₈N₂O and molecular weight is 148.16. What's more, its IUPAC name is 1H-Indazol-5-ylmethanol.

Physical properties about 1H-Indazole-5-methanol 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)ACD/BCF (pH 5.5): 1.79; (6)ACD/BCF (pH 7.4): 1.79; (7)ACD/KOC (pH 5.5): 52.86; (8)ACD/KOC (pH 7.4): 52.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 43.07 cm³; (15)Molar Volume: 108.9 cm³; (16)Polarizability: 17.07×10^-24 cm³; (17)Surface Tension: 73 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 183.8 °C; (20)Enthalpy of Vaporization: 66.29 kJ/mol; (21)Boiling Point: 380.3 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2cc1cc(ccc1n2)CO
(2) InChI: InChI=1/C8H8N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-4,11H,5H2,(H,9,10)
(3) InChIKey: UIXLZPHPSJUXBX-UHFFFAOYAL