5-isocyanato-2-methylidene-pentanoate; 2-methylidene-5-oxidanyl-pentanoic acid

Systemtic Name: 5-isocyanato-2-methylidene-pentanoate; 2-methylidene-5-oxidanyl-pentanoic acid Openeye Name: 5-hydroxy-2-methylene-pentanoic acid; 5-isocyanato-2-methylene-pentanoate CAS Name: 5-hydroxy-2-methylenepentanoic acid; 5-isocyanato-2-methylenepentanoate IUPAC Name: 5-hydroxy-2-methylidenepentanoic acid; 5-isocyanato-2-methylidenepentanoate Traditional Name: 2-(3-hydroxypropyl)acrylic acid; 2-(3-isocyanatopropyl)acrylate Formula: C13H18NO6- MolecularWeight: 284.28512

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCN=C=O)C(=O)[O-].C=C(CCCO)C(=O)O

Isomeric SMILES

C=C(CCCN=C=O)C(=O)[O-].C=C(CCCO)C(=O)O

InChI

InChI=1S/C7H9NO3.C6H10O3/c1-6(7(10)11)3-2-4-8-5-9;1-5(6(8)9)3-2-4-7/h1-4H2,(H,10,11);7H,1-4H2,(H,8,9)/p-1