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Home> Hot Product Listed Z   > ZINC11666216
7633-38-7 structure

ZINC11666216

Iupac Name:ditert-butyl but-2-enedioate
CAS No.:7633-38-7
Molecular Weight:228.2848
Molecular Formula:C18H21N3O2S (isomer)
Names and Identifiers
Synonyms

5-(2-methoxyethyl)-2-phenyl-7-(4-(thiophene-2-carbonyl)piperazine-1-carbonyl)-2h-pyrazolo[4,3-c]pyridin-3(5h)-one AKOS024476006 F2924-0302 MCULE-4792124256 MOLPORT-005-280-492

Inchi
InChI=1/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3
Canonical Smiles
CC(C)(C)OC(=O)C=CC(=O)OC(C)(C)C
Properties
Refractive Index
1.45
HS Code
2917190090
Computational chemical data
  • Molecular Weight:228.2848g/mol
  • Molecular Formula:C18H21N3O2S
  • Exact Mass:228.136159
  • Monoisotopic Mass:228.136159
  • Complexity:259
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:1
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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