CAS
93168-20-8 Purity
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93168-20-8 Purity
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ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate
CAS
931738-63-5
Catalog Number
ACM931738635
Category
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What is the molecular formula of ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The molecular formula is C8H7N3O4.
What is the molecular weight of ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The molecular weight is 209.16 g/mol.
When was ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate created and modified in PubChem?
It was created on January 16, 2019, and last modified on December 30, 2023.
What is the IUPAC name of ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name is ethyl 4-oxo-5H-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
Can you provide the Canonical SMILES of ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The Canonical SMILES is CCOC(=O)C1=NOC2=C1C(=O)NC=N2.
What is the InChI for ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChI is InChI=1S/C8H7N3O4/c1-2-14-8(13)5-4-6(12)9-3-10-7(4)15-11-5/h3H,2H2,1H3,(H,9,10,12).
How many hydrogen bond acceptors does ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate have?
It has 6 hydrogen bond acceptors.
What is the XLogP3-AA value for ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The XLogP3-AA value is 0.
What is the topological polar surface area of ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate?
The topological polar surface area is 93.8 Ų.
Is ethyl 4-oxo-4,5-dihydroisoxazolo[5,4-d]pyrimidine-3-carboxylate a canonicalized compound in PubChem?
Yes, it is a canonicalized compound in PubChem.
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