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Home> Encyclopedia > Hot Product Listed 5   > 5,12-Naphthacenedione,7,10-dimethoxy-
938-85-2 structure

5,12-Naphthacenedione,7,10-dimethoxy-

Iupac Name:2-amino-1-methyl-7H-purin-6-one
CAS No.:938-85-2
Molecular Weight:165.156
Molecular Formula:C7H7CLS (isomer)
Names and Identifiers
Synonyms

NSC 357168

Inchi
InChI=1S/C6H7N5O/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2H,1H3,(H2,7,10)(H,8,9)
InChkey
RFLVMTUMFYRZCB-UHFFFAOYSA-N
Canonical Smiles
CN1C(=O)C2=C(N=CN2)N=C1N
Properties
Melting Point
≥300 °C
Boiling Point
180.3°Cat760mmHg
Refractive Index
1.864     
Flash Point
445.3°C
HS Code
2933990090
Safety and Handling
Safety Statements
S22;S24/25
Computational chemical data
  • Molecular Weight:165.156g/mol
  • Molecular Formula:C7H7CLS
  • Compound Is Canonicalized:True
  • Exact Mass:165.065
  • Monoisotopic Mass:165.065
  • Complexity:250
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:87.4A^2
  • Heavy Atom Count:12
  • 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: AAADcYBjoAAAAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAEABgAAAHgAQAAAACAgBlgQHsBfJkACo AQdxdACAgC2XEKABUYGoVECASAhASCAUAIgIAwJAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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