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Home> Hot Product Listed S   > STOCK6S-95457
5342-23-4 structure

STOCK6S-95457

Iupac Name:6-methoxy-4-methyl-1H-quinolin-2-one
CAS No.:5342-23-4
Molecular Weight:189.214
Molecular Formula:C21H24N2O3 (isomer)
Names and Identifiers
Synonyms

4-[(6-chloro-1h-indol-1-yl)acetyl]piperazine-1-carbaldehyde 4-[2-(6-chloroindol-1-yl)acetyl]piperazine-1-carbaldehyde AKOS005661874 BG00636382 MCULE-9575246475 MOLPORT-008-334-791 STK931697 ZINC40266683

Inchi
InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-4-3-8(14-2)6-9(7)10/h3-6H,1-2H3,(H,12,13)
InChkey
VGQWDNJRHAWUNX-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=O)NC2=C1C=C(C=C2)OC
Properties
Refractive Index
1.557
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:189.214g/mol
  • Molecular Formula:C21H24N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:189.079
  • Monoisotopic Mass:189.079
  • Complexity:273
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:14
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgAQAAAADAyBmAIyxoLABACI AiVSUACCCAAhIgAIiAAGbMgMJiLEsZuEMChk1BHI6QewwLAOAEABAAACAAAAgAIAAAQAAAAAAAAA AA==
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Recommended Suppliers
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