Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key JUWYQISLQJRRNT-UHFFFAOYSA-N
Smiles OB(O)c1oc(C=O)cc1
InChI
InChI=1S/C5H5BO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3,8-9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5B1O4
Molecular Weight 140.03
AlogP -1.23
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 70.67
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 27329-70-0
NORMAN SUSDAT