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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenecarboxylicacid, 5-[2-(4-carboxyphenyl)diazenyl]-6-hydroxy-
1232-57-1 structure

2-Naphthalenecarboxylicacid, 5-[2-(4-carboxyphenyl)diazenyl]-6-hydroxy-

Iupac Name:(1R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
CAS No.:1232-57-1
Molecular Weight:304.474
Molecular Formula:C19H25N3O2 (isomer)
Names and Identifiers
Synonyms

1-(4'-Carboxyphenylazo)-2-naphthol-6-carboxylicacid 2-Naphthalenecarboxylicacid, 5-[(4-carboxyphenyl)azo]-6-hydroxy- (9CI)

Inchi
InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13+,15+,16+,17+,18+,19+,20+/m1/s1
InChkey
UXYRZJKIQKRJCF-OIMFUDJCSA-N
Canonical Smiles
CC1CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4O)C)C
Properties
Density
0.97
Boiling Point
376.5°C at 760 mmHg
Flash Point
103.8°C
Computational chemical data
  • Molecular Weight:304.474g/mol
  • Molecular Formula:C19H25N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.1
  • Exact Mass:304.24
  • Monoisotopic Mass:304.24
  • Complexity:486
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:8
  • 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: AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICAAAAAgAI AIAQAAAAAAAAAAAAAAEAAAAAEBIAAAAAQAAEAAAAAAGIyPCPgAAAAAAAAACAAAQAACAAAIAADAAA AA==
 
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