Summary

IMPPAT Phytochemical identifier: IMPHY016750

Phytochemical name: Methyl methoxyacetate

Synonymous chemical names:
methyl methoxyacetate

External chemical identifiers:
CID:80507, ChEBI:34841, ZINC:ZINC000001866899, FDASRS:N960NQ69LF, SureChEMBL:SCHEMBL29374, MolPort-003-926-594

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Chemical structure information

SMILES:
COCC(=O)OC

InChI:
InChI=1S/C4H8O3/c1-6-3-4(5)7-2/h3H2,1-2H3

InChIKey:
QRMHDGWGLNLHMN-UHFFFAOYSA-N

DeepSMILES:
COCC=O)OC

Functional groups:
COC, 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: -0.579

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Chemical structure download