CAS
94086-63-2 Purity
96%
94086-63-2 Purity
96%
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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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