Propyl formate

Details

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Internal ID 752b0dc6-64dd-4af3-a324-736c102aaf4a
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters
IUPAC Name propyl formate
SMILES (Canonical) CCCOC=O
SMILES (Isomeric) CCCOC=O
InChI InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3
InChI Key KFNNIILCVOLYIR-UHFFFAOYSA-N
Popularity 198 references in papers

Physical and Chemical Properties

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Molecular Formula C4H8O2
Molecular Weight 88.11 g/mol
Exact Mass 88.052429494 g/mol
Topological Polar Surface Area (TPSA) 26.30 Ų
XlogP 0.80

Synonyms

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110-74-7
Formic acid, propyl ester
n-Propyl formate
Propyl methanoate
Formiate de propyle
Propylester kyseliny mravenci
FEMA No. 2943
Formiate de propyle [French]
UNII-WO1ARV6GTW
WO1ARV6GTW
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Propyl 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 89.32% 96.09%
CHEMBL2581 P07339 Cathepsin D 88.05% 98.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.25% 89.34%
CHEMBL2664 P23526 Adenosylhomocysteinase 80.00% 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.
Aloe africana
Aloe ferox
Aloe spicata
Aloe vera

Cross-Links

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PubChem 8073
NPASS NPC208021
LOTUS LTS0139558
wikiData Q421045