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Home> Hot Product Listed S   > STOCK1S-80261
10341-26-1 structure

STOCK1S-80261

Iupac Name:1,4-oxazepan-5-one
CAS No.:10341-26-1
Molecular Weight:115.132
Molecular Formula:C22H24N2O3 (isomer)
Names and Identifiers
Synonyms

10-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one 10-(3-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one AC1LQ87D AKOS001665948 CCG-22852 EU-0081431 MCULE-1547238304 MOLPORT-000-848-139 OPREA1_658519 OPREA1_868635 STK828600 ZINC1123479

Inchi
InChI=1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
InChkey
OXDIYMHNQAWSCL-UHFFFAOYSA-N
Canonical Smiles
C1COCCNC1=O
Properties
Melting Point
80-82℃
Vapour
0.000574mmHg at 25°C
Refractive Index
1.435
Safety and Handling
PackingGroup
III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:115.132g/mol
  • Molecular Formula:C22H24N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:115.063
  • Monoisotopic Mass:115.063
  • Complexity:92.4
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3A^2
  • Heavy Atom Count:8
  • 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: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABYAAAAAAAAAAHgAQAAAACADhgAYAAALABAAI AAEQEAAAAAAAAAAAAIEIAAACAAQAAAAHAAACNgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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