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Methyl 3,7-dimethyl-1-oxoisochroman-3-carboxylate

  • CAS No. 890646-76-1

  • Cat. No. CS-0248399
  • Molecule weight234.25
  • Purity≥95%
  • MDL No.None

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

Methyl 3,7-dimethyl-1-oxoisochroman-3-carboxylate|CS-0248399

Structure of 890646-76-1

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General Information

  • CAS No. 890646-76-1
  • Cat. No. CS-0248399
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₄
  • Molecular Weight 234.25
  • Synonym(s) 1H-2-Benzopyran-3-carboxylic acid, 3,4-dihydro-3,7-dimethyl-1-oxo-, methyl ester
  • SMILES O=C(C(CC1=C2C=C(C)C=C1)(C)OC2=O)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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.63962
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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