CAS
904817-40-9 Purity
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904817-40-9 Purity
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3-(3-Hydroxy-phenyl)-isoxazole-5-carboxylic acid methyl ester
CAS
904817-54-5
Catalog Number
ACM904817545
Category
Other Products
Molecular Weight
219.19
Molecular Formula
C11H9NO4
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Specification
Synonyms
3-(3-HYDROXY-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID METHYL ESTER;Methyl 3-(3-hydroxyphenyl)-1,2-isoxazole-5-carboxylate
What is the molecular formula of the compound with PubChem CID 2771850?
The molecular formula is C11H9NO4.
When was the compound first created according to PubChem?
The compound was first created on 2005-07-19.
What is the IUPAC name of the compound?
The IUPAC name is methyl 3-(3-hydroxyphenyl)-1,2-oxazole-5-carboxylate.
What is the Canonical SMILES of the compound?
The Canonical SMILES is COC(=O)C1=CC(=NO1)C2=CC(=CC=C2)O.
What is the molecular weight of the compound?
The molecular weight is 219.19 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 72.6 Å^2.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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