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Structure

5-(4-Nitrophenyl)isoxazole-3-carboxylic acid

CAS
899820-05-4
Catalog Number
ACM899820054
Category
Other Products
Molecular Weight
234.17
Molecular Formula
C10H6N2O5

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Specification

Synonyms
5-(4-NITROPHENYL)ISOXAZOLE-3-CARBOXYLIC ACID;SALOR-INT L482560-1EA;5-(4-NITROPHENYL)-3-ISOXAZOLECARBOXYLIC ACID
What is the molecular formula of 5-(4-Nitrophenyl)isoxazole-3-carboxylic acid?

The molecular formula is C10H6N2O5.

What is the molecular weight of 5-(4-Nitrophenyl)isoxazole-3-carboxylic acid?

The molecular weight is 234.16 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-(4-nitrophenyl)-1,2-oxazole-3-carboxylic acid.

What is the InChIKey of 5-(4-Nitrophenyl)isoxazole-3-carboxylic acid?

The InChIKey is GBRSPKXOFRTAHS-UHFFFAOYSA-N.

How many hydrogen bond donors does the compound have?

The compound has 1 hydrogen bond donor.

How many hydrogen bond acceptors does the compound have?

The compound has 6 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 109 Ų.

How many heavy atoms are present in the compound?

There are 17 heavy atoms present.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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