4-Isocyanato-1,2,3,5,6,7-hexahydro-s-indacene

Base Information

• Chemical Name: 4-Isocyanato-1,2,3,5,6,7-hexahydro-s-indacene
• CAS No.: 210827-31-9
• Molecular Formula: C₁₃H₁₃NO
• Molecular Weight: 199.252
• European Community (EC) Number: 630-721-1
• Nikkaji Number: J1.919.728J

Synonyms:4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene;210827-31-9;SCHEMBL6867779;UYBZBDIWTYRSAW-UHFFFAOYSA-N

Chemical Property of 4-Isocyanato-1,2,3,5,6,7-hexahydro-s-indacene

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

98%+ ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC3=C(CCC3)C(=C2C1)N=C=O

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