Structure

InChI Key BACWCXKATFIVFS-JQCXWYLXSA-N
Smiles OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O)[C@H]12
InChI
InChI=1S/C9H12O4/c10-4-5-3-7(11)6-1-2-13-9(12)8(5)6/h1-3,6-12H,4H2/t6-,7+,8+,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12O4
Molecular Weight None
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Cross References

Resources Reference
CAS NUMBER 64274-28-8
NORMAN SUSDAT
PubChem 163040
ChemSpider 143116.0