175591-22-7 Purity
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Specification
The molecular formula of 5-Methoxy-6-nitro-1H-indole is C9H8N2O3.
The molecular weight of 5-Methoxy-6-nitro-1H-indole is 192.17 g/mol.
The IUPAC name of 5-Methoxy-6-nitro-1H-indole is 5-methoxy-6-nitro-1H-indole.
The InChI of 5-Methoxy-6-nitro-1H-indole is InChI=1S/C9H8N2O3/c1-14-9-4-6-2-3-10-7(6)5-8(9)11(12)13/h2-5,10H,1H3.
The InChIKey of 5-Methoxy-6-nitro-1H-indole is WDXINEUUEKDULS-UHFFFAOYSA-N.
The canonical SMILES of 5-Methoxy-6-nitro-1H-indole is COC1=C(C=C2C(=C1)C=CN2)[N+](=O)[O-].
5-Methoxy-6-nitro-1H-indole has 1 hydrogen bond donor count.
5-Methoxy-6-nitro-1H-indole has 3 hydrogen bond acceptor counts.
The topological polar surface area of 5-Methoxy-6-nitro-1H-indole is 70.8 Ų.
Yes, 5-Methoxy-6-nitro-1H-indole is a canonicalized compound.