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CAS No.: | 32829-25-7 |
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Name: | 1H-[1,2,3]TRIAZOLE-4-CARBALDEHYDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | Indazol-1-ylaceticacid;1H-Indazol-1-ylacetic acid;2-(1H-Indazolyl)acetic acid;1H-indazole-1-acetic acid; |
EINECS: | 604-604-1 |
Density: | 1.35 g/cm3 |
Boiling Point: | 379.1 °C at 760 mmHg |
Flash Point: | 183.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 55.12000 |
LogP: | 1.12090 |
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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