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Home> Encyclopedia > Hot Product Listed 6   > 6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
25151-84-2 structure

6-Quinoxalinecarboxylicacid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester

Iupac Name:methyl 4-[(2R)-6-methyl-4-oxoheptan-2-yl]benzoate
CAS No.:25151-84-2
Molecular Weight:262.349g/mol
Molecular Formula:C12H7CLF3NO2 (isomer)
Names and Identifiers
Synonyms

AKOS015958741 DA-40886 F9995-1153 FT-0748542 HLSJOMYBTGFJQQ-UHFFFAOYSA-N MCULE-9465799582 methyl 2-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylate methyl 2-oxo-3,4-dihydro-1h-quinoxaline-6-carboxylate MOLPORT-006-827-070 NE51152 SCHEMBL5009654 Z1649677750 ZINC45202067

Inchi
InChI=1S/C16H22O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h5-8,11-12H,9-10H2,1-4H3/t12-/m1/s1
InChkey
HWGXPHSUTYGITL-GFCCVEGCSA-N
Canonical Smiles
CC(C)CC(=O)CC(C)C1=CC=C(C=C1)C(=O)OC
Properties
Density
1.559
Boiling Point
311.6 °C at 760 mmHg
Flash Point
153.1°C
Computational chemical data
  • Molecular Weight:262.349g/molg/mol
  • Molecular Formula:C12H7CLF3NO2
  • Compound Is Canonicalized:True
  • Exact Mass:262.157
  • Monoisotopic Mass:262.157
  • Complexity:301
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:1
  • 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: AAADceB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADQSAmAIyCIAABACI AqDSCAACAAAkAAAIiAEACMgIJjKANRiAMQAkwAEIqYeIyPCOwAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
 
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