1,3,5-BENZENETRICARBOXYLIC ACID

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OU36OO5MTN
EPA CompTox DTXSID8021488

Structure

InChI Key QMKYBPDZANOJGF-UHFFFAOYSA-N
Smiles OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O
InChI
InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6O6
Molecular Weight 210.02
AlogP 0.78
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 111.9
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 554-95-0
NORMAN SUSDAT
FDA SRS OU36OO5MTN
PubChem 11138
ChemSpider 10665.0
CONTENTS