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Home> Hot Product Listed S   > Sorangicin A,(37Z,39E)- (9CI)
405923-50-4 structure

Sorangicin A,(37Z,39E)- (9CI)

Iupac Name:7-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid
CAS No.:405923-50-4
EINECS(EC#): 218-272-6
Molecular Weight:237.639
Molecular Formula:C7H15CL3SI (isomer)
Names and Identifiers
Synonyms

9,13-Epoxy-23,26-etheno-2,5-methano-2H,5H-furo[2,3-l][1,4,14]trioxacyclotritriacontin,sorangicin A deriv. Sorangicin A1

Inchi
InChI=1S/C11H8ClNO3/c1-5-8(12)3-2-6-9(5)13-4-7(10(6)14)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChkey
KIGXAPARJYAEQL-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=CC2=C1NC=C(C2=O)C(=O)O)Cl
Properties
Boiling Point
348.5°Cat760mmHg
Refractive Index
1.632
Computational chemical data
  • Molecular Weight:237.639g/mol
  • Molecular Formula:C7H15CL3SI
  • Compound Is Canonicalized:True
  • Exact Mass:237.019
  • Monoisotopic Mass:237.019
  • Complexity:366
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.4A^2
  • Heavy Atom Count:16
  • 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: AAADccByMAAEAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgIQCAAADA7BmCQyyILAAgCI AqTWSACCAAAlBQAIiIEIRsgIJD7JlpGEYYhkoABI2ceY2eOeBAACAAIDAAAIAAQABAYAAAAAAAAA AA==
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