Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001986

Phytochemical name: Ethyl acetate

Synonymous chemical names:
ethyl acetateb, ethyl acetate, ethyl acetate, ethyl acetate*, ethyl ester, acetic-acid-ester

External chemical identifiers:
CID:CID_8857, ChEMBL:CHEMBL14152, ChEBI:CHEBI:27750, ZINC:ZINC000000895412, FDASRS:76845O8NMZ, SureChEMBL:SCHEMBL155, MolPort-000-871-940

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Chemical structure information

SMILES:
CCOC(=O)C

InChI:
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

InChIKey:
XEKOWRVHYACXOJ-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.423

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Chemical structure download