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Home> Hot Product Listed 1   > 1,3-DIMETHYL-BENZO[4,5]THIENO[2,3-C]PYRIDINE
1072952-43-2 structure

1,3-DIMETHYL-BENZO[4,5]THIENO[2,3-C]PYRIDINE

Iupac Name:(5-hydroxy-2-methoxyphenyl)boronic acid
CAS No.:1072952-43-2
Molecular Weight:167.955
Molecular Formula:C6H10O11P2.2BA.2H2O (isomer)
Names and Identifiers
Synonyms

1,3-dimethyl[1]benzothieno[2,3-c]pyridine 1,3-dimethyl-[1]benzothiolo[2,3-c]pyridine 4,6-dimethyl-8-thia-5-azatricyclo[7.4.0.0(2),?]trideca-1(9),2(7),3,5,10,12-hexaene AB00691587-07 AC1LIUQ6 AC1Q4XSK AKOS005461965 CHEMBL1617650 MOLPORT-002-542-094 STK529048 STOCK1S-20127 ZINC495248

Inchi
InChI=1S/C7H9BO4/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,9-11H,1H3
InChkey
RVGRDJBWONYWOO-UHFFFAOYSA-N
Canonical Smiles
B(C1=C(C=CC(=C1)O)OC)(O)O
Properties
Density
1.631
Flash Point
223°C
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:167.955g/mol
  • Molecular Formula:C6H10O11P2.2BA.2H2O
  • Compound Is Canonicalized:True
  • Exact Mass:168.059
  • Monoisotopic Mass:168.059
  • Complexity:141
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:69.9A^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: AAADccJgOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAoGgAACAAACASAkAIyBoAABgCA ACBCAAACCAAgIAAIiAAGCIgMJiKGMRqAcCAkwBEIuAfAQAAAAQAAAAAAAAACAAAAAAAAAAAAAAAA AA==
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