Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10448691

Structure

InChI Key QHAPONCMFJQXEN-UHFFFAOYSA-N
Smiles CC1(C)C2C1C(=O)OC2O
InChI
InChI=1S/C7H10O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-5,8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10O3
Molecular Weight 142.06
AlogP 0.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 73611-02-6
NORMAN SUSDAT
PubChem 176442
ChemSpider 153676.0