Ethyl formate

Details

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Internal ID 9cfde341-5d2e-40b6-b8b9-9d2b1062da52
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters
IUPAC Name ethyl formate
SMILES (Canonical) CCOC=O
SMILES (Isomeric) CCOC=O
InChI InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
InChI Key WBJINCZRORDGAQ-UHFFFAOYSA-N
Popularity 1,631 references in papers

Physical and Chemical Properties

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Molecular Formula C3H6O2
Molecular Weight 74.08 g/mol
Exact Mass 74.036779430 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 0.50

Synonyms

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109-94-4
Formic acid, ethyl ester
Areginal
Ethyl methanoate
Formic acid ethyl ester
Ethyl formic ester
Aethylformiat
Formic ether
Ethylformiaat
ethylformate
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Ethyl formate

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.60% 96.09%
CHEMBL2581 P07339 Cathepsin D 82.51% 98.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 81.90% 89.34%
CHEMBL2664 P23526 Adenosylhomocysteinase 81.01% 86.67%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Wurfbainia neoaurantiaca

Cross-Links

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PubChem 8025
NPASS NPC173862