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Home> Encyclopedia > Hot Product Listed 2   > 2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (2R)-
96850-21-4 structure

2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (2R)-

Iupac Name:[(3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
CAS No.:96850-21-4
Molecular Weight:330.424
Molecular Formula:C8H6F3NO3 (isomer)
Names and Identifiers
Synonyms

(4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-4-CARBOXYLIC ACID (4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-4-CARBOXYLIC ACID 99% (4R)-N-(tert-Butyldimethylsilyl)azetidin-2-one-4-carboxylic acid,99% (4R)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-CARBOXYLIC ACID (R)-1-(tert-Butyldimethylsilanyl)-4-oxoazetidine-2-carboxylic acid (R)-1-(tert-butyldiMethylsilyl)-4-oxoazetidine-2-carboxylic acid 2-Azetidinecarboxylicacid, 1-[(1,1-dimethylethyl)dimethylsilyl]-4-oxo-, (R)-

Inchi
InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8-,13-11+,14-6+/t16-,17-,18-/m1/s1
InChkey
HXMMJGIMTCOROX-XEUROUCDSA-N
Canonical Smiles
CC=C(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C)C
Properties
Appearance
White to off-whiteCrystalline Powder or Chunks
Boiling Point
709.5°Cat760mmHg
Computational chemical data
  • Molecular Weight:330.424g/mol
  • Molecular Formula:C8H6F3NO3
  • Compound Is Canonicalized:True
  • Exact Mass:330.183
  • Monoisotopic Mass:330.183
  • Complexity:636
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:3
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAACAAAAAGgAAAAAADRSggAICCAAABACI AiDSCAAAAAAgAAAACAEAAEgABBIAIQACEAAFwAAIIYPKyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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