bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate

Systemtic Name: bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Openeye Name: bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate CAS Name: bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate IUPAC Name: bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Traditional Name: bicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Formula: C7H8O MolecularWeight: 108.13782

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC1=CC=C2.O

Isomeric SMILES

C1C2=CC1=CC=C2.O

InChI

InChI=1S/C7H6.H2O/c1-2-6-4-7(3-1)5-6;/h1-4H,5H2;1H2