1-isocyanatopropane; 3-isocyanatopropylbenzene

Systemtic Name: 1-isocyanatopropane; 3-isocyanatopropylbenzene Openeye Name: 1-isocyanatopropane; 3-isocyanatopropylbenzene CAS Name: 1-isocyanatopropane; 3-isocyanatopropylbenzene IUPAC Name: 1-isocyanatopropane; 3-isocyanatopropylbenzene Traditional Name: 1-isocyanatopropane; 3-isocyanatopropylbenzene Formula: C14H18N2O2 MolecularWeight: 246.30492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C=O.C1=CC=C(C=C1)CCCN=C=O

Isomeric SMILES

CCCN=C=O.C1=CC=C(C=C1)CCCN=C=O

InChI

InChI=1S/C10H11NO.C4H7NO/c12-9-11-8-4-7-10-5-2-1-3-6-10;1-2-3-5-4-6/h1-3,5-6H,4,7-8H2;2-3H2,1H3