Methyl formate

Details

Top
Internal ID f8ea621b-7666-4fb3-9d18-11b5de79dfa0
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters
IUPAC Name methyl formate
SMILES (Canonical) COC=O
SMILES (Isomeric) COC=O
InChI InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChI Key TZIHFWKZFHZASV-UHFFFAOYSA-N
Popularity 2,375 references in papers

Physical and Chemical Properties

Top
Molecular Formula C2H4O2
Molecular Weight 60.05 g/mol
Exact Mass 60.021129366 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 0.00

Synonyms

Top
107-31-3
Formic acid, methyl ester
Methyl methanoate
Formic acid methyl ester
Methylformiat
Formiate de methyle
Methylformiaat
Mravencan methylnaty
methanoic acid methyl ester
Methylester kyseliny mravenci
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Methyl formate

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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 82.15% 96.09%

Plants that contains it

Top
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.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera
Angelica dahurica

Cross-Links

Top
PubChem 7865
NPASS NPC117411