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2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene

Base Information
  • Chemical Name:2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene
  • CAS No.:104163-59-9
  • Molecular Formula:C20H22 O2 S
  • Molecular Weight:326.4525
  • Hs Code.:
  • ChEMBL ID:CHEMBL77103
  • Mol file:104163-59-9.mol
2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene

Synonyms:CCRIS 3301;SRI 4529-19;104163-59-9;2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene;CHEMBL77103;2-[1-(4-CARBOXYPHENYL)-1E-PROPEN-2-YL]-4,5,6,7-TETRAHYDRO-4,4-DIMETHYL-BENZO]B]THIOPHENE

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Chemical Property of 2-(1-(4-Carboxyphenyl)-1E-propen-2-yl)-4,5,6,7-tetrahydro-4,4-dimethylbenzo(b)thiophene
Chemical Property:
  • Vapor Pressure:3.05E-10mmHg at 25°C 
  • Boiling Point:485.6°Cat760mmHg 
  • Flash Point:247.5°C 
  • Density:1.166g/cm3 
  • XLogP3:6.2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:3
  • Exact Mass:326.13405111
  • Heavy Atom Count:23
  • Complexity:474
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(S2)CCCC3(C)C
  • Isomeric SMILES:C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(S2)CCCC3(C)C
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