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Home> Hot Product Listed T   > T6466878
3846-73-9 structure

T6466878

Iupac Name:4-methylquinolin-8-ol
CAS No.:3846-73-9
Molecular Weight:159.188
Molecular Formula:C25H33N3O (isomer)
Names and Identifiers
Synonyms

2-methyl-4-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}morpholine MCULE-8952680354 MOLPORT-009-159-241 Z235370590

Inchi
InChI=1S/C10H9NO/c1-7-5-6-11-10-8(7)3-2-4-9(10)12/h2-6,12H,1H3
InChkey
OYUKRQOCPFZNHR-UHFFFAOYSA-N
Canonical Smiles
CC1=C2C=CC=C(C2=NC=C1)O
Properties
Refractive Index
1.666
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 3846-73-9 EC: T6466878 ·ECHA C&L Inventory for CAS: CAS: 3846-73-9 EC: T6466878
Computational chemical data
  • Molecular Weight:159.188g/mol
  • Molecular Formula:C25H33N3O
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:159.068
  • Monoisotopic Mass:159.068
  • Complexity:160
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:33.1A^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: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADAzBngQ+xvIIEgCg AzRnRASCgCAxYiAI2CA/bJgKJuLSkZOEcAhkwBHY2AeQwPAOgAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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