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Home> Hot Product Listed T   > T6749794
88721-64-6 structure

T6749794

Iupac Name:5-tert-butyl-1,2-oxazole-3-carbaldehyde
CAS No.:88721-64-6
Molecular Weight:153.181
Molecular Formula:C10H20N2O4S (isomer)
Names and Identifiers
Synonyms

1-(2-methyl-3-{[(1-phenyl-1h-1,2,3,4-tetrazol-5-yl)methyl]amino}phenyl)pyrrolidin-2-one MCULE-8421920037 MOLPORT-009-103-993 Z839816542 ZINC58159680

Inchi
InChI=1S/C8H11NO2/c1-8(2,3)7-4-6(5-10)9-11-7/h4-5H,1-3H3
InChkey
RALYCNUPYDXZFQ-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)C1=CC(=NO1)C=O
Computational chemical data
  • Molecular Weight:153.181g/mol
  • Molecular Formula:C10H20N2O4S
  • Compound Is Canonicalized:True
  • Exact Mass:153.079
  • Monoisotopic Mass:153.079
  • Complexity:151
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.1A^2
  • Heavy Atom Count:11
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgAEAAAADgyhlgIyhJAQAACp AaxywgCAAAAmIgAgGCG2bFoAJhoAlZKAEYBmgBgIScMbCAANAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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