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CS-W001157 4
Total: USD 88.00

3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}propanoic acid

  • CAS No. 450394-87-3

  • Cat. No. CS-0241662
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-4-yl}propanoic acid|CS-0241662

Structure of 450394-87-3

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General Information

  • CAS No. 450394-87-3
  • Cat. No. CS-0241662
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₃S
  • Molecular Weight 278.33
  • Synonym(s) 3-{3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-4-yl}propanoic acid
  • SMILES C1CCC2=C(C1)C3=C(N=CN(CCC(=O)O)C3=O)S2

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.19
  • LogP   1.8115
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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