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Home > Encyclopedia > 1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione

1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione

1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione structure

1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione 

structure
  • CAS No:

    1502-46-1

  • Formula:

    C6H3N7O3

  • Chemical Name:

    1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione

  • Synonyms:

    1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione;Cyameluric acid;1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8-triol;NSC 156433;2,5,8-Trihydroxy-1,3,4,6,7,9,9b-heptaazaphenalene

  • Categories:

    Specialty Chemicals

Description

1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triol is a cyameluric acid. It is a tautomer of a 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,3H,6H)-trione and a 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8(1H,4H,7H)-trione.

1,3,4,6,7,9,9b-Heptaazaphenalene-2,5,8(1H,3H,6H)-trione Basic Attributes

221.136

221.13

FC54F41J58

156433

DTXSID80164492

Characteristics

128

-1.5

2.96±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:221.13
XLogP3:-1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:221.02973698
Monoisotopic Mass:221.02973698
Topological Polar Surface Area:128
Heavy Atom Count:16
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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