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Home> Hot Product Listed F   > F2302-0672
22395-24-0 structure

F2302-0672

Iupac Name:2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CAS No.:22395-24-0
Molecular Weight:312.321
Molecular Formula:C20H20N2O4 (isomer)
Names and Identifiers
Synonyms

1-(4-(cyclopropanecarbonyl)piperazin-1-yl)-2-(1-methyl-1h-indol-3-yl)ethanone AKOS024638315 MCULE-3688308318 MOLPORT-009-690-418 ZINC35588290

Inchi
InChI=1S/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3
InChkey
VSFZYCDPDWSYSS-UHFFFAOYSA-N
Canonical Smiles
COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)OC)OC
Properties
Melting Point
179-181°C
Vapour
2.81E-09mmHg at 25°C
Refractive Index
1.585
Safety and Handling
Safety Statements
S22;S24/25
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:312.321g/mol
  • Molecular Formula:C20H20N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.9
  • Exact Mass:312.1
  • Monoisotopic Mass:312.1
  • Complexity:460
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:54A^2
  • Heavy Atom Count:23
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGgAAAAAADASAmAIyBoAABACI AqBSAAACCAAkIAAIiAEGiMgNJzaENRqCOWKl4BUKqYfI7LzOIAABCAAIQABAAAIQABCAAAAAAAAA AA==
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