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CS-W001157 4
Total: USD 88.00

2-(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid

  • CAS No. 58246-00-7

  • Cat. No. CS-0246823
  • Purity≥97%
  • MDL No.None

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

2-(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid|CS-0246823

Structure of 58246-00-7

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General Information

  • CAS No. 58246-00-7
  • Cat. No. CS-0246823
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₃
  • Molecular Weight 231.25
  • Synonym(s) (2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid
  • SMILES CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)O

Synthesis

  • Route1

    References

    • Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
  • Route2
    • In-stock
      Isoquinoline|CS-W013448
      119-65-3
    • null|null
      108-24-7
    • null|null
      67-64-1
    • ~25%
    • null|null
      58245-86-6
    • 2-(2-Acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid|CS-0246823
      58246-00-7

    References

    • Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062
  • Route3

    References

    • Yamanaka, Hiroshi; Shiraishi, Takayuki; Sakamoto, Takao Chemical & Pharmaceutical Bulletin, 1981 , vol. 29, # 4 p. 1056 - 1062

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   57.61
  • LogP   2.0352
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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