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Home> Encyclopedia > Hot Product Listed 6   > 6,10-Methano-2H,5H-furo[4,3,2-kl][3]benzoxocin-2-one,8-(3-furanyl)-4,5a,6,7,8,10,10a,10b-octahydro-6...
16907-79-2 structure

6,10-Methano-2H,5H-furo[4,3,2-kl][3]benzoxocin-2-one,8-(3-furanyl)-4,5a,6,7,8,10,10a,10b-octahydro-6,10b,11-trimethyl-,(5aR,6R,8S,10R,10aS,10bR,11R)- (9CI)

Iupac Name:sodium;quinoline-2-carboxylate
CAS No.:16907-79-2
Molecular Weight:195.153
Molecular Formula:C19H20O7 (isomer)
Names and Identifiers
Synonyms

6,10-Methano-2H,5H-furo[4,3,2-kl][3]benzoxocin-2-one,8-(3-furanyl)-4,5a,6,7,8,10,10a,10b-octahydro-6,10b,11-trimethyl-, [5aR-(5aa,6b,8a,10b,10ab,10bb,11R*)]- Peronemin B1

Inchi
InChI=1S/C10H7NO2.Na/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h1-6H,(H,12,13);/q;+1/p-1
InChkey
PLTCLMZAIZEHGD-UHFFFAOYSA-M
Canonical Smiles
C1=CC=C2C(=C1)C=CC(=N2)C(=O)[O-].[Na+]
Properties
Flash Point
235.6°C
HS Code
2933499090
Computational chemical data
  • Molecular Weight:195.153g/mol
  • Molecular Formula:C19H20O7
  • Compound Is Canonicalized:True
  • Exact Mass:195.03
  • Monoisotopic Mass:195.03
  • Complexity:210
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:53A^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:2
  • CACTVS Substructure Key Fingerprint: AAADcYByMCAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAAAAAADAiBngAwyPIIEACo AyTyTASCgCAnAiAImCGwbNgKJvLAlbGEMQhkwAHYyYeYyLCOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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