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Home> Hot Product Listed F   > F5598-0035
267-48-1 structure

F5598-0035

Iupac Name:5H-[1,3]dioxolo[4,5-f]indole
CAS No.:267-48-1
Molecular Weight:161.16
Molecular Formula:C16H19NO (isomer)
Names and Identifiers
Synonyms

AKOS024515038 MCULE-6380564775 MOLPORT-009-738-788 n-benzyl-4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide VU0648448-1 ZINC38904951

Inchi
InChI=1S/C9H7NO2/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4,10H,5H2
InChkey
HXCHORPNRVSDCD-UHFFFAOYSA-N
Canonical Smiles
C1OC2=C(O1)C=C3C(=C2)C=CN3
Properties
Vapour
0.000244mmHg at 25°C
Refractive Index
1.72
Safety and Handling
Safety Statements
Risk Statements 20/21/22Safety Statements 36WGK Germany 3 RTECS JI4650000
Computational chemical data
  • Molecular Weight:161.16g/mol
  • Molecular Formula:C16H19NO
  • Compound Is Canonicalized:True
  • Exact Mass:161.048
  • Monoisotopic Mass:161.048
  • Complexity:185
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.2A^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: AAADcYByMAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAzBngc8zvLJlACg AzRnRACCiCAxIiAI2aA+7JgdJuLEsZukMCpm0BnO6Aew0LMOIEABAgACQABAgAIEAASAAAAAAAAA AA==
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