4-methyl-4-oxidanyl-hex-2-ynoic acid; phenylmethanamine

Systemtic Name: 4-methyl-4-oxidanyl-hex-2-ynoic acid; phenylmethanamine Openeye Name: 4-hydroxy-4-methyl-hex-2-ynoic acid; phenylmethanamine CAS Name: 4-hydroxy-4-methyl-2-hexynoic acid; phenylmethanamine IUPAC Name: 4-hydroxy-4-methylhex-2-ynoic acid; phenylmethanamine Traditional Name: benzylamine; 4-hydroxy-4-methyl-hex-2-ynoic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC(=O)O)O.C1=CC=C(C=C1)CN

Isomeric SMILES

CCC(C)(C#CC(=O)O)O.C1=CC=C(C=C1)CN

InChI

InChI=1S/C7H9N.C7H10O3/c8-6-7-4-2-1-3-5-7;1-3-7(2,10)5-4-6(8)9/h1-5H,6,8H2;10H,3H2,1-2H3,(H,8,9)