Synonyms
Molecule Category Free-form
UNII V5877ZJZ25
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key FPYJFEHAWHCUMM-UHFFFAOYSA-N
Smiles O=C1OC(=O)C=C1
InChI
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2O3
Molecular Weight 98.06
AlogP 0.25
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 7.0

Cross References

Resources Reference
ChEMBL CHEMBL374159
FDA SRS V5877ZJZ25
PubChem 7923
SureChEMBL SCHEMBL191