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Home> Hot Product Listed F   > FT-0703822
6259-53-6 structure

FT-0703822

Iupac Name:4-hydroxy-6-(methylamino)naphthalene-2-sulfonic acid
CAS No.:6259-53-6
Molecular Weight:253.272
Molecular Formula:C16H14N4O3 (isomer)
Names and Identifiers
Synonyms

4,4-bis(3-methyl-2-thienyl)-3-buten-1-ol DA-41224 ZINC140161378

Inchi
InChI=1S/C11H11NO4S/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8/h2-6,12-13H,1H3,(H,14,15,16)
InChkey
SEHCLGZKORRUKN-UHFFFAOYSA-N
Canonical Smiles
CNC1=CC2=C(C=C(C=C2C=C1)S(=O)(=O)O)O
Properties
Refractive Index
1.602
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:253.272g/mol
  • Molecular Formula:C16H14N4O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.2
  • Exact Mass:253.041
  • Monoisotopic Mass:253.041
  • Complexity:364
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:95A^2
  • Heavy Atom Count:17
  • 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: AAADccByOABAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBUAAAHgQQCAAADAyB2AQyx8LAAoKA AiRCQHDCAEAhIgAIiJgObIgIJiLCkZOEcAhk0BFI2AewwLAOmAABxAAYAAAwAAOIADAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:+91 22 2497 4400, 2497 4401
  • Fax:+91 22 2495 0588, 2495 1098
  • Tel:+86-571-87396430 87396432
  • Fax:
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
 
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