Keyword(s): Surfactants
Molecule Category Free-form
EPA CompTox DTXSID40298065

Structure

InChI Key RKGQUTNLMXNUME-UHFFFAOYSA-N
Smiles C(C(=O)O)(C(=O)O)C(=O)O
InChI
InChI=1S/C4H4O6/c5-2(6)1(3(7)8)4(9)10/h1H,(H,5,6)(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4O6
Molecular Weight 148.0
AlogP -1.14
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 111.9
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 101687-15-4
NORMAN SUSDAT
PubChem 274406
ChemSpider 241416.0