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Home> Hot Product Listed T   > T6552392
556023-99-5 structure

T6552392

Iupac Name:N'-[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]cyclopropanecarbohydrazide
CAS No.:556023-99-5
Molecular Weight:249.27
Molecular Formula:C16H21NO5S (isomer)
Names and Identifiers
Synonyms

4-(2-ethoxypyridine-3-carbonyl)-2-methylmorpholine MCULE-2569033044 MOLPORT-009-526-262 Z212851208

Inchi
InChI=1S/C12H15N3O3/c1-7-11(17)10(9(6-16)4-13-7)5-14-15-12(18)8-2-3-8/h4-5,8,14,16H,2-3,6H2,1H3,(H,15,18)/b10-5+
InChkey
ORQZRXQBYAJNKR-BJMVGYQFSA-N
Canonical Smiles
CC1=NC=C(C(=CNNC(=O)C2CC2)C1=O)CO
Computational chemical data
  • Molecular Weight:249.27g/mol
  • Molecular Formula:C16H21NO5S
  • Compound Is Canonicalized:True
  • Exact Mass:249.111
  • Monoisotopic Mass:249.111
  • Complexity:473
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:90.8A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAGAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAYCAAADQzhgAYCAAJiAgCo A4F2VAAAAAAgAAISIIEwAEgIFBIAgQAAQAAE0AAAEMGCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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