Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-Cyclopenta[b]thiophen-6-one,4,5-dihydro-5-hydroxy-, (5S)-
518070-24-1 structure

6H-Cyclopenta[b]thiophen-6-one,4,5-dihydro-5-hydroxy-, (5S)-

Iupac Name:2-cyano-5-fluorobenzoic acid
CAS No.:518070-24-1
Molecular Weight:165.123
Molecular Formula:C7H6O2S (isomer)
Names and Identifiers
Synonyms

6H-Cyclopenta[b]thiophen-6-one,4,5-dihydro-5-hydroxy-,(5S)-(9CI)

Inchi
InChI=1S/C8H4FNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12)
InChkey
MUQWLBDSRBARGV-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=C(C=C1F)C(=O)O)C#N
Properties
Refractive Index
1.564
Computational chemical data
  • Molecular Weight:165.123g/mol
  • Molecular Formula:C7H6O2S
  • Compound Is Canonicalized:True
  • Exact Mass:165.023
  • Monoisotopic Mass:165.023
  • Complexity:233
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:61.1A^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: AAADcYByMQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAACAAADACBmAgwCIAAAgCY BiDSCAAiAAAkAAAIiAEACMgIpjKAFRCAcQAkwAEImY+IyKCOgAAAAAAQAAAAAAAAACAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86 (0) 571 85 58 67 18
  • Fax:0086-571-85864795
  • Tel:0086-21-50563169
  • Fax:
  • Tel:86-310-6034055
  • Fax:86-310-6034055
  • Tel:86-577-64498589
  • Fax:86-0577-56994596
  • Tel:+86-(25)-8645 8768
  • Fax:+86-(25)-8645 5019
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-34226250
  • Fax:86-21-34226250
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:+86 (0) 571 85 58 67 18
  • Fax:0086-571-85864795
  • Tel:0086-21-50563169
  • Fax:
  • Tel:86-310-6034055
  • Fax:86-310-6034055
  • Tel:86-577-64498589
  • Fax:86-0577-56994596
  • Tel:+86-(25)-8645 8768
  • Fax:+86-(25)-8645 5019
 
<