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CS-W001157 4
Total: USD 88.00

[6,6]-Phenyl-C71-butyric acid methyl ester

  • CAS No. 609771-63-3

  • Cat. No. CS-0137560
  • Purity≥95%
  • MDL No.MFCD09842750

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

[6,6]-Phenyl-C71-butyric acid methyl ester|CS-0137560

Structure of 609771-63-3

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General Information

  • CAS No. 609771-63-3
  • Cat. No. CS-0137560
  • Purity ≥95%
  • MDL No. MFCD09842750
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈₂H₁₄O₂
  • Molecular Weight 1030.99
  • Synonym(s) Methyl [6,6]-Phenyl-C71-butyrate (mixture of isomers)
  • SMILES O=C(CCCC1(C2=CC=CC=C2)C34CC5=CC(C=C(C6=C7C8=C9C%10=C%11C%12=C%138)C%14)=C7C%13=C5C3=C%12C%15=C(C41)C=C(C%16=C%15%11)CC(C%16=C%17%10)=CC%18=C%17C9=C6C%14=C%18)OC

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   26.3
  • LogP   11.8686
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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