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Home> Hot Product Listed Z   > ZINC37134706
138713-44-7 structure

ZINC37134706

Iupac Name:3-phenylmorpholine
CAS No.:138713-44-7
Molecular Weight:163.22
Molecular Formula:C11H18O3 (isomer)
Names and Identifiers
Synonyms

5-{[(4,6-dimethoxypyrimidin-5-yl)methyl]amino}-2-methoxyphenol AKOS009932484 en300-111224 MCULE-8124061852 MOLPORT-012-078-183 Z1436105157

Inchi
InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
InChkey
MHZXKVPCJBPNKI-UHFFFAOYSA-N
Canonical Smiles
C1COCC(N1)C2=CC=CC=C2
Safety and Handling
Risk Statements
22
Computational chemical data
  • Molecular Weight:163.22g/mol
  • Molecular Formula:C11H18O3
  • Compound Is Canonicalized:True
  • Exact Mass:163.1
  • Monoisotopic Mass:163.1
  • Complexity:132
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADCjhmAYwAILABACA AiBCAACCAAAgAAAIiIAIBIgKICKAkRGHIAhk0AGYiAeQwKAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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