Structure

InChI Key JOOXCMJARBKPKM-UHFFFAOYSA-N
Smile CC(=O)CCC(=O)O
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8O3
Molecular Weight 116.12
AlogP 0.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 8.0

Cross References

Resources Reference
ChEBI 45630
ChEMBL CHEMBL1235931
DrugBank DB02239
EPA CompTox DTXSID8021648
FDA SRS RYX5QG61EI
Human Metabolome Database HMDB0000720
PDB SHF
PubChem 11579
SureChEMBL SCHEMBL20868
ZINC ZINC000000586584