Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002616

Phytochemical name: Propyl formate

Synonymous chemical names:
n-propyl formate

External chemical identifiers:
CID:CID_8073, ChEMBL:CHEMBL2270393, ChEBI:CHEBI:173323, ZINC:ZINC000002041068, FDASRS:WO1ARV6GTW, SureChEMBL:SCHEMBL18445

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Chemical structure information

SMILES:
CCCOC=O

InChI:
InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3

InChIKey:
KFNNIILCVOLYIR-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O

Functional groups:
COC=O

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP006460

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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: 0.742

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Chemical structure download