cyclopropanecarboxylic acid; 1-isocyanato-4-methyl-benzene

Systemtic Name: cyclopropanecarboxylic acid; 1-isocyanato-4-methyl-benzene Openeye Name: cyclopropanecarboxylic acid; 1-isocyanato-4-methyl-benzene CAS Name: cyclopropanecarboxylic acid; 1-isocyanato-4-methylbenzene IUPAC Name: cyclopropanecarboxylic acid; 1-isocyanato-4-methylbenzene Traditional Name: cyclopropanecarboxylic acid; 1-isocyanato-4-methyl-benzene Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C=O.C1CC1C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N=C=O.C1CC1C(=O)O

InChI

InChI=1S/C8H7NO.C4H6O2/c1-7-2-4-8(5-3-7)9-6-10;5-4(6)3-1-2-3/h2-5H,1H3;3H,1-2H2,(H,5,6)