methanoic acid; propanal; prop-2-enal

Systemtic Name: methanoic acid; propanal; prop-2-enal Openeye Name: formic acid; propanal; prop-2-enal CAS Name: formic acid; propanal; 2-propenal IUPAC Name: formic acid; propanal; prop-2-enal Traditional Name: acrolein; formic acid; propionaldehyde Formula: C7H12O4 MolecularWeight: 160.16778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=O.C=CC=O.C(=O)O

Isomeric SMILES

CCC=O.C=CC=O.C(=O)O

InChI

InChI=1S/C3H6O.C3H4O.CH2O2/c2*1-2-3-4;2-1-3/h3H,2H2,1H3;2-3H,1H2;1H,(H,2,3)