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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-
791054-53-0 structure

5,12-Naphthacenedione,1,3,6,8,10,11-hexahydroxy-

Iupac Name:ethyl 5-amino-7-methyl-1-benzofuran-2-carboxylate
CAS No.:791054-53-0
Molecular Weight:219.24
Molecular Formula:C49H28O7 (isomer)
Names and Identifiers
Synonyms

BM 2419-1 BM 2419-DP

Inchi
InChI=1S/C12H13NO3/c1-3-15-12(14)10-6-8-5-9(13)4-7(2)11(8)16-10/h4-6H,3,13H2,1-2H3
InChkey
OWFQFJXEYHWMAN-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C1=CC2=CC(=CC(=C2O1)C)N
Properties
Density
1.27
Boiling Point
648°Cat760mmHg
Flash Point
134.7°C
Computational chemical data
  • Molecular Weight:219.24g/mol
  • Molecular Formula:C49H28O7
  • Compound Is Canonicalized:True
  • Exact Mass:219.09
  • Monoisotopic Mass:219.09
  • Complexity:269
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:65.5A^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: AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAHgAQAAAADAyhmAIyzsBABECI AqTSSAKCCAAkIgAAiAFGbMgNJjKEtZ+COSDk0BEK6Ye8//3+AEACQAAIAAAAgASAABAAAAAAAAAA AA==
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