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Home> Hot Product Listed S   > SCHEMBL1820484
105836-13-3 structure

SCHEMBL1820484

Iupac Name:(1R)-1-(2-methoxyphenyl)propan-1-ol
CAS No.:105836-13-3
Molecular Weight:166.22
Molecular Formula:C21H21NO5 (isomer)
Names and Identifiers
Synonyms

1196723-95-1 hsf1b MOLPORT-042-665-813 N-(1,3-bis(4-chlorophenyl)-1H-pyrazol-5-yl)-4-butylbenzamide NCGC00386694-01 ZINC117211970

Inchi
InChI=1S/C10H14O2/c1-3-9(11)8-6-4-5-7-10(8)12-2/h4-7,9,11H,3H2,1-2H3/t9-/m1/s1
InChkey
VZYLWUFNOMSQSJ-SECBINFHSA-N
Canonical Smiles
CCC(C1=CC=CC=C1OC)O
Computational chemical data
  • Molecular Weight:166.22g/mol
  • Molecular Formula:C21H21NO5
  • Compound Is Canonicalized:True
  • Exact Mass:166.099
  • Monoisotopic Mass:166.099
  • Complexity:125
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^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: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIyBoAABgCA AiBCAAACCAAgIAAIiAAGCIgMNyKEMRqAcCAlwBEIuAeAwKAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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