Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001987

Phytochemical name: Ethyl propionate

Synonymous chemical names:
ethyl propanoate b, ethyl propanoate, ethyl propionate

External chemical identifiers:
CID:CID_7749, ChEMBL:CHEMBL44115, ChEBI:CHEBI:41330, ZINC:ZINC000000388078, FDASRS:AT9K8FY49U, SureChEMBL:SCHEMBL16045, MolPort-001-769-743

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Chemical structure information

SMILES:
CCOC(=O)CC

InChI:
InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3

InChIKey:
FKRCODPIKNYEAC-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CC

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: -0.064

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Chemical structure download