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Structure

Isopropyl 4-(4-nitrophenyl)butyrate

CAS
94086-76-7
Catalog Number
ACM94086767
Category
Other Products
Molecular Weight
251.27838
Molecular Formula
C13H17NO4

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Specification

Synonyms
isopropyl 4-(4-nitrophenyl)butyrate;4-Nitrobenzenebutanoic acid 1-methylethyl ester;4-Nitrobenzenebutanoic acid isopropyl ester
What is the molecular formula of Isopropyl 4-(4-nitrophenyl)butyrate?

The molecular formula is C13H17NO4.

When was Isopropyl 4-(4-nitrophenyl)butyrate created and last modified in PubChem?

It was created on 2005-08-08 and last modified on 2023-12-30.

What is the IUPAC name of Isopropyl 4-(4-nitrophenyl)butyrate?

The IUPAC name is propan-2-yl 4-(4-nitrophenyl)butanoate.

What is the Canonical SMILES representation of Isopropyl 4-(4-nitrophenyl)butyrate?

The Canonical SMILES is CC(C)OC(=O)CCCC1=CC=C(C=C1)[N+](=O)[O-].

What is the molecular weight of Isopropyl 4-(4-nitrophenyl)butyrate?

The molecular weight is 251.28 g/mol.

What is the InChIKey of Isopropyl 4-(4-nitrophenyl)butyrate?

The InChIKey is WQUVMYDZSHRUNH-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does Isopropyl 4-(4-nitrophenyl)butyrate have?

It has 4 hydrogen bond acceptor count.

What is the topological polar surface area of Isopropyl 4-(4-nitrophenyl)butyrate?

The topological polar surface area is 72.1 ².

How many rotatable bond count does Isopropyl 4-(4-nitrophenyl)butyrate have?

It has 6 rotatable bond count.

Is Isopropyl 4-(4-nitrophenyl)butyrate's compound canonicalized according to PubChem?

Yes, the compound is canonicalized in PubChem.

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