Summary

IMPPAT Phytochemical identifier: IMPHY017091

Phytochemical name: 3-Acetyl-1-propanol

Synonymous chemical names:
γ-acetopropanol

External chemical identifiers:
CID:14066, ZINC:ZINC000001562396, SureChEMBL:SCHEMBL53922, MolPort-001-790-609

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Chemical structure information

SMILES:
OCCCC(=O)C

InChI:
InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3

InChIKey:
JSHPTIGHEWEXRW-UHFFFAOYSA-N

DeepSMILES:
OCCCC=O)C

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Oxygenated hydrocarbons

NP-Likeness score: 1.29

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Chemical structure download