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Home> Hot Product Listed 1   > 1H-Naphtho[2,1-b]pyran-1-one,2,3-dihydro-3-phenyl-
644972-61-2 structure

1H-Naphtho[2,1-b]pyran-1-one,2,3-dihydro-3-phenyl-

Iupac Name:3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carboxamide
CAS No.:644972-61-2
Molecular Weight:216.197
Molecular Formula:C37H39NO4 (isomer)
Names and Identifiers
Synonyms

5,6-Benzoflavanone(7CI)

Inchi
InChI=1S/C7H12N4O4/c1-3-11-6(14)9-5(13)7(11,4(8)12)10-15-2/h10H,3H2,1-2H3,(H2,8,12)(H,9,13,14)
InChkey
CTDZGEFRMQIFFW-UHFFFAOYSA-N
Canonical Smiles
CCN1C(=O)NC(=O)C1(C(=O)N)NOC
Properties
Density
0.89
Boiling Point
192.5°Cat760mmHg
Flash Point
298.4°C
Computational chemical data
  • Molecular Weight:216.197g/mol
  • Molecular Formula:C37H39NO4
  • Compound Is Canonicalized:True
  • Exact Mass:216.086
  • Monoisotopic Mass:216.086
  • Complexity:318
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:114A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBjuAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAUAAAACAjBgAYDAAPQAAAI AAEQEAAAAAAAAAAgAAGIAACAQAgIQCAUAAAIByKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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