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Home> Hot Product Listed N   > Nykon 77
87150-13-8 structure

Nykon 77

Iupac Name:4-(1,3-oxazol-5-yl)benzonitrile
CAS No.:87150-13-8
Molecular Weight:170.171
Molecular Formula:N/A (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C10H6N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H
InChkey
LZMCNLOQTURTHS-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C#N)C2=CN=CO2
Properties
Density
1.25
Refractive Index
1.599
Computational chemical data
  • Molecular Weight:170.171g/mol
  • Molecular Formula:N/A
  • Compound Is Canonicalized:True
  • Exact Mass:170.048
  • Monoisotopic Mass:170.048
  • Complexity:212
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.8A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAAAAAADATBmgY8hJIIFEC4 BrB31AQiiCA/QCAI2AGrSMgOpjLAtTmNMQAkxgFY6Y+YyPCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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