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Home> Hot Product Listed T   > T6775130
113798-80-4 structure

T6775130

Iupac Name:[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CAS No.:113798-80-4
Molecular Weight:172.224
Molecular Formula:C16H18FN3O6S3 (isomer)
Names and Identifiers
Synonyms

MCULE-7739918468 MOLPORT-009-116-240 n-{4-[(3-fluorophenyl)sulfamoyl]phenyl}oxolane-3-carboxamide Z971541936

Inchi
InChI=1S/C9H16O3/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8,10H,1-7H2/t8-/m1/s1
InChkey
XUGYZVQSZWPABZ-MRVPVSSYSA-N
Canonical Smiles
C1CCC2(CC1)OCC(O2)CO
Computational chemical data
  • Molecular Weight:172.224g/mol
  • Molecular Formula:C16H18FN3O6S3
  • Compound Is Canonicalized:True
  • Exact Mass:172.11
  • Monoisotopic Mass:172.11
  • Complexity:152
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.7A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • 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: AAADceBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAA AAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAGAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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