CAS
965-40-2 Purity
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965-40-2 Purity
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ethyl 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CAS
96546-39-3
Catalog Number
ACM96546393
Category
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What is the molecular formula of ethyl 4-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate?
The molecular formula is C10H12N2O3.
When was the compound created and last modified?
The compound was created on 2007-02-08 and last modified on 2023-12-30.
What is the IUPAC Name of the compound?
The IUPAC Name is ethyl 4-oxo-1,5,6,7-tetrahydroindazole-3-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)9-8-6(11-12-9)4-3-5-7(8)13/h2-5H2,1H3,(H,11,12).
What is the InChIKey of the compound?
The InChIKey is OVRGWKICQMIBLC-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC(=O)C1=NNC2=C1C(=O)CCC2.
What is the molecular weight of the compound?
The molecular weight is 208.21 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 72 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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