2-(phenylmethyl)oxirane; prop-2-enoic acid; hydrate

Systemtic Name: 2-(phenylmethyl)oxirane; prop-2-enoic acid; hydrate Openeye Name: acrylic acid; 2-benzyloxirane; hydrate CAS Name: 2-(phenylmethyl)oxirane; 2-propenoic acid; hydrate IUPAC Name: 2-benzyloxirane; prop-2-enoic acid; hydrate Traditional Name: acrylic acid; 2-benzyloxirane; hydrate Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C1C(O1)CC2=CC=CC=C2.O

Isomeric SMILES

C=CC(=O)O.C1C(O1)CC2=CC=CC=C2.O

InChI

InChI=1S/C9H10O.C3H4O2.H2O/c1-2-4-8(5-3-1)6-9-7-10-9;1-2-3(4)5;/h1-5,9H,6-7H2;2H,1H2,(H,4,5);1H2