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Home> Hot Product Listed T   > T6305852
36886-76-7 structure

T6305852

Iupac Name:3',6'-dimethoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CAS No.:36886-76-7
Molecular Weight:360.365
Molecular Formula:C20H19CLN2O4 (isomer)
Names and Identifiers
Synonyms

MCULE-4714669230 MOLPORT-009-382-624 n-(2-ethylphenyl)-2-(4-{2-[methyl({1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl})amino]acetyl}piperazin-1-yl)acetamide n-(2-ethylphenyl)-2-(4-{2-[methyl({1-[4-(1h-1,2,4-triazol-1-yl)phenyl]ethyl})amino]acetyl}piperazin-1-yl)acetamide Z106498250

Inchi
InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3
InChkey
GRIKUIPJBHJPPN-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC)C5=CC=CC=C5C(=O)O3
Properties
Melting Point
202 °C
Refractive Index
1.684
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:360.365g/mol
  • Molecular Formula:C20H19CLN2O4
  • Compound Is Canonicalized:True
  • Exact Mass:360.1
  • Monoisotopic Mass:360.1
  • Complexity:549
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:54A^2
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YMEAAAAAAEiRUAAAGgAAAAAADESAmAIyDoAABACI AiDSCAACCAAkIAAIiAEGCMgMJzKENRqCOSClwBUIqYeK6PyOoAAACAAYAABAAAAQADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:020-33640779 32416961
  • Fax:020-26277554
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