CAS
905587-32-8 Purity
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905587-32-8 Purity
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![[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylicacid, 7-amino-2-(methylthio)-, ethyl ester](https://resource.alfa-chemistry.com/structure/90559-98-1.gif)
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4-(3-Ethoxyphenyl)-4-oxobutyric acid
CAS
905592-33-8
Catalog Number
ACM905592338
Category
Other Products
Molecular Weight
222.24298
Molecular Formula
C12H14O4
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What is the molecular formula of the compound?
The molecular formula of the compound is C12H14O4.
What are the synonyms of the compound?
The synonyms of the compound are 4-(3-ethoxyphenyl)-4-oxobutanoic acid and SCHEMBL4265996.
When was the compound created and modified in PubChem?
The compound was created on February 29, 2008, and modified on December 30, 2023, in PubChem.
What is the InChIKey of the compound?
The InChIKey of the compound is RJEGUURNUVEJDH-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 1.6.
What is the exact mass of the compound?
The exact mass of the compound is 222.08920892 g/mol.
How many rotatable bonds does the compound have?
The compound has 6 rotatable bonds.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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