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Home> Hot Product Listed B   > b-D-Glucopyranoside,3-pyridinylmethyl
19783-52-9 structure

b-D-Glucopyranoside,3-pyridinylmethyl

Iupac Name:2-thiophen-2-ylthiophene-3-carboxylic acid
CAS No.:19783-52-9
EINECS(EC#): 1312995-182-4
Molecular Weight:210.265
Molecular Formula:C6H9CLO2 (isomer)
Names and Identifiers
Synonyms

3-Pyridinylmethyl beta-D-glucopyranoside Nicoloside

Inchi
InChI=1S/C9H6O2S2/c10-9(11)6-3-5-13-8(6)7-2-1-4-12-7/h1-5H,(H,10,11)
InChkey
WORDPCGESYENCC-UHFFFAOYSA-N
Canonical Smiles
C1=CSC(=C1)C2=C(C=CS2)C(=O)O
Properties
Density
1.35
Boiling Point
494.507 °C at 760 mmHg
Flash Point
212.1 °C
Computational chemical data
  • Molecular Weight:210.265g/mol
  • Molecular Formula:C6H9CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:209.981
  • Monoisotopic Mass:209.981
  • Complexity:208
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:93.8A^2
  • Heavy Atom Count:13
  • 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: AAADcYBwMABgAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAGgQACAAADACE2ACwCYAAAgiM AiDSCAADAIAkCBBIiBkACMgIJjKgFRCAcQAkwAEomYeIyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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