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

Systemtic Name: 3-methylbicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Openeye Name: 3-methylbicyclo[3.1.1]hepta-1(6),2,4-triene hydrate CAS Name: 3-methylbicyclo[3.1.1]hepta-1(6),2,4-triene hydrate IUPAC Name: 3-methylbicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Traditional Name: 3-methylbicyclo[3.1.1]hepta-1(6),2,4-triene hydrate Formula: C8H10O MolecularWeight: 122.1644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C1)C2.O

Isomeric SMILES

CC1=CC2=CC(=C1)C2.O

InChI

InChI=1S/C8H8.H2O/c1-6-2-7-4-8(3-6)5-7;/h2-4H,5H2,1H3;1H2