Summary

IMPPAT Phytochemical identifier: IMPHY013504

Phytochemical name: Diethyleneglycol diacetate

Synonymous chemical names:
diethyleneglycol diacetate

External chemical identifiers:
CID:56924026, SureChEMBL:SCHEMBL9325783

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Chemical structure information

SMILES:
CC(=O)O.CC(=O)O.OCCOCCO

InChI:
InChI=1S/C4H10O3.2C2H4O2/c5-1-3-7-4-2-6;2*1-2(3)4/h5-6H,1-4H2;2*1H3,(H,3,4)

InChIKey:
NQZIMCQYPKKFAX-UHFFFAOYSA-N

DeepSMILES:
CC=O)O.CC=O)O.OCCOCCO

Functional groups:
CC(=O)O, CO, COC

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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 acids

NP-Likeness score: 0.182

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Chemical structure download