2-oxidanylpropyl ethanoate hydrate

Systemtic Name: 2-oxidanylpropyl ethanoate hydrate Openeye Name: 2-hydroxypropyl acetate hydrate CAS Name: acetic acid 2-hydroxypropyl ester hydrate IUPAC Name: 2-hydroxypropyl acetate hydrate Traditional Name: acetic acid 2-hydroxypropyl ester hydrate Formula: C5H12O4 MolecularWeight: 136.14638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C)O.O

Isomeric SMILES

CC(COC(=O)C)O.O

InChI

InChI=1S/C5H10O3.H2O/c1-4(6)3-8-5(2)7;/h4,6H,3H2,1-2H3;1H2