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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenecarboxylicacid, 3-hydroxy-5-sulfo-
370102-93-5 structure

2-Naphthalenecarboxylicacid, 3-hydroxy-5-sulfo-

Iupac Name:(6aS,11aS)-3,9-dimethoxy-6,11a-dihydro-[1]benzofuro[3,2-c]chromen-6a-ol
CAS No.:370102-93-5
Molecular Weight:300.31
Molecular Formula:C37H41CLN2O6 (isomer)
Names and Identifiers
Synonyms

2-Naphthoicacid, 3-hydroxy-5-sulfo- (8CI) 3-Hydroxy-5-sulfo-2-naphthoic acid

Inchi
InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m0/s1
InChkey
VVPGAJNPGZZNBM-DLBZAZTESA-N
Canonical Smiles
COC1=CC2=C(C=C1)C3C(CO2)(C4=C(O3)C=C(C=C4)OC)O
Properties
Density
0.942
Boiling Point
471.3°Cat760mmHg
Flash Point
182.2°C
Computational chemical data
  • Molecular Weight:300.31g/mol
  • Molecular Formula:C37H41CLN2O6
  • Compound Is Canonicalized:True
  • Exact Mass:300.1
  • Monoisotopic Mass:300.1
  • Complexity:416
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:57.2A^2
  • Heavy Atom Count:22
  • 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: AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAA0YIAAAAAAAEiRQAAAGgAACAAADFSgmAIyBoAABgCA AiBCAAACCAAgIAAIiAAGCIgNJyKEMRqCeCClwBULuAfA4PwOoAAACAAIAABAAAAQABAAAAAAAAAA AA==
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