3-chloranylbicyclo[2.2.1]hepta-1,3,5-trien-7-one; pentanoic acid

Systemtic Name: 3-chloranylbicyclo[2.2.1]hepta-1,3,5-trien-7-one; pentanoic acid Openeye Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-trien-7-one; pentanoic acid CAS Name: 3-chloro-7-bicyclo[2.2.1]hepta-1,3,5-trienone; pentanoic acid IUPAC Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-trien-7-one; pentanoic acid Traditional Name: 3-chlorobicyclo[2.2.1]hepta-1,3,5-trien-7-one; valeric acid Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)O.C1=CC2=C(C=C1C2=O)Cl

Isomeric SMILES

CCCCC(=O)O.C1=CC2=C(C=C1C2=O)Cl

InChI

InChI=1S/C7H3ClO.C5H10O2/c8-6-3-4-1-2-5(6)7(4)9;1-2-3-4-5(6)7/h1-3H;2-4H2,1H3,(H,6,7)