adamantane; 3-bromanylpropanoic acid

Systemtic Name: adamantane; 3-bromanylpropanoic acid Openeye Name: adamantane; 3-bromopropanoic acid CAS Name: adamantane; 3-bromopropanoic acid IUPAC Name: adamantane; 3-bromopropanoic acid Traditional Name: adamantane; 3-bromopropionic acid Formula: C13H21BrO2 MolecularWeight: 289.20864

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3.C(CBr)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3.C(CBr)C(=O)O

InChI

InChI=1S/C10H16.C3H5BrO2/c1-7-2-9-4-8(1)5-10(3-7)6-9;4-2-1-3(5)6/h7-10H,1-6H2;1-2H2,(H,5,6)