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Home> Hot Product Listed 2   > 2-Decanone, 4-hydroxy-
57314-76-8 structure

2-Decanone, 4-hydroxy-

Iupac Name:(2S,3S)-2,3-dihydroxy-4-(2-nitroanilino)-4-oxobutanoic acid
CAS No.:57314-76-8
Molecular Weight:270.197
Molecular Formula:C18H18F3NO (isomer)
Names and Identifiers
Synonyms

4-Hydroxy-2-decanone NSC 71566

Inchi
InChI=1S/C10H10N2O7/c13-7(8(14)10(16)17)9(15)11-5-3-1-2-4-6(5)12(18)19/h1-4,7-8,13-14H,(H,11,15)(H,16,17)/t7-,8-/m0/s1
InChkey
HTOIMXXCKYQKQM-YUMQZZPRSA-N
Canonical Smiles
C1=CC=C(C(=C1)NC(=O)C(C(C(=O)O)O)O)[N+](=O)[O-]
Properties
Density
1.082
Flash Point
246°C
Computational chemical data
  • Molecular Weight:270.197g/mol
  • Molecular Formula:C18H18F3NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.7
  • Exact Mass:270.049
  • Monoisotopic Mass:270.049
  • Complexity:367
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:153A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:2
  • 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: AAADccBzOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAUCAAACByhkAIwyILQQgCJ ACXSWwKCAAAhAgAoiAFAdIoLcDbAkZGUYAhntIDZyAc3AAAAAAAAAAAAACAAAAAAAAAAQAAAAAAA AA==
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