Indazol-1-yl-acetic acid supplier

Name
1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE
EINECS 604-604-1
CAS No. 32829-25-7
Article Data8
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 379.1 °C at 760 mmHg
Molecular Weight 176.175
Flash Point 183.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-41
Molecular Structure
Hazard Symbols Xn
Synonyms Indazol-1-ylaceticacid;1H-Indazol-1-ylacetic acid;2-(1H-Indazolyl)acetic acid;1H-indazole-1-acetic acid;
PSA 55.12000
LogP 1.12090

Indazol-1-yl-acetic acid Specification

The Indazol-1-yl-acetic acid, with the CAS registry number 32829-25-7, is also known as 1H-Indazol-1-ylacetic acid. It belongs to the product category of Heterocycles series. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its systematic name is 2-indazol-1-ylacetic acid.

Physical properties of Indazol-1-yl-acetic acid are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1.56; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 44.12 Å²; (10)Index of Refraction: 1.65; (11)Molar Refractivity: 47.63 cm³; (12)Molar Volume: 130.4 cm³; (13)Polarizability: 18.88×10^-24cm³; (14)Surface Tension: 56.3 dyne/cm; (15)Density: 1.35 g/cm³; (16)Flash Point: 183.1 °C; (17)Enthalpy of Vaporization: 66.15 kJ/mol; (18)Boiling Point: 379.1 °C at 760 mmHg; (19)Vapour Pressure: 2.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=NN2CC(=O)O
(2)InChI: InChI=1S/C9H8N2O2/c12-9(13)6-11-8-4-2-1-3-7(8)5-10-11/h1-5H,6H2,(H,12,13)
(3)InChIKey: ZNRZBEVYWWQQMN-UHFFFAOYSA-N

Product Name

1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE

Indazol-1-yl-acetic acid Specification

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