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Home> Hot Product Listed 2   > 2-Methyl-2-propanyl (5S,8S)-8-({[(2-methyl-2-propanyl)(diphenyl)s ilyl]oxy}methyl)-2,6-dioxo-1-oxa-7...
130931-83-8 structure

2-Methyl-2-propanyl (5S,8S)-8-({[(2-methyl-2-propanyl)(diphenyl)s ilyl]oxy}methyl)-2,6-dioxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxyl ate

Iupac Name:(1R,4S)-3-azabicyclo[2.2.1]hept-5-en-2-one
CAS No.:130931-83-8
Molecular Weight:109.128
Molecular Formula:C27H48O4SI2 (isomer)
Names and Identifiers
Synonyms

1-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid,8-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-2,6-dioxo-,1,1-dimethylethyl

Inchi
InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m0/s1
InChkey
DDUFYKNOXPZZIW-CRCLSJGQSA-N
Canonical Smiles
C1C2C=CC1NC2=O
Isomers Smiles
C1[C@@H]2C=C[C@H]1NC2=O
Properties
Melting Point
92-100 oC
Vapour
0mmHg at 25°C
Refractive Index
1.546
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
Computational chemical data
  • Molecular Weight:109.128g/mol
  • Molecular Formula:C27H48O4SI2
  • Compound Is Canonicalized:True
  • Exact Mass:109.053
  • Monoisotopic Mass:109.053
  • Complexity:162
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:2
  • 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: AAADcYBiIAAAAAAAAAAAAAAAAAAAAWIAAAAgAAAAAAAAAAAAAAAAHgAQAAAADSjBgAQAAALAAACI ACFSEACAAAAgAAAICIEIAAgAABIAgQAEAAAAlgCIAAIcAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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