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NSC49647

NSC49647 structure

NSC49647 

structure
  • CAS No:

    2215-96-5

  • Formula:

    C14H17NO3

  • Chemical Name:

    NSC49647

  • Synonyms:

    NSC49647;2,6-Dimethoxy-1-acetonylquil;2,6-DiMethoxy-1-acetonylquinol;4-Hydroxy-3,5-diMethoxy-4-(2-oxopropyl)cyclohexa-2,5-dienone

  • Categories:

    Natural Products  >  Quinone Ring

NSC49647 Basic Attributes

247.28968

226.084122

49647

DTXSID00287197

2914509090

Characteristics

72.8

0.87

1.2±0.1 g/cm3

457.5±45.0 °C at 760 mmHg

181.1±22.2 °C

1.520

Computed Properties

Molecular Weight:226.23
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:226.08412354
Monoisotopic Mass:226.08412354
Topological Polar Surface Area:72.8
Heavy Atom Count:16
Complexity:354
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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