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3-(3-Nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid

3-(3-Nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid - CAS 445228-83-1

Catalog:	BB044635
Product Name:	3-(3-Nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
CAS:	445228-83-1
Synonyms:	3-(3-nitro-1,2,4-triazolyl)adamantanecarboxylic acid; Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-(3-nitro-1H-1,2,4-triazol-1-yl)-; 3-(3-Nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxylic acid

Technical Data

Computed Properties

IUPAC Name:	3-(3-nitro-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid
Description:	3-(3-Nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxylic acid (CAS# 445228-83-1 ) is a useful research chemical.
Molecular Weight:	292.29
Molecular Formula:	C13H16N4O4
Canonical SMILES:	C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C13H16N4O4/c18-10(19)12-2-8-1-9(3-12)5-13(4-8,6-12)16-7-14-11(15-16)17(20)21/h7-9H,1-6H2,(H,18,19)
InChI Key:	CIKGWLMBQJIERA-UHFFFAOYSA-N
Boiling Point:	550.9±52.0 °C at 760 mmHg
Purity:	≥ 95 %
Density:	1.8±0.1 g/cm³

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