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Home> Hot Product Listed T   > T6425113
436088-75-4 structure

T6425113

Iupac Name:4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid
CAS No.:436088-75-4
Molecular Weight:232.199
Molecular Formula:C25H29N3O6S (isomer)
Names and Identifiers
Synonyms

AB00997624-01 MCULE-8302481171 MOLPORT-009-413-144 n-[3-(propan-2-yloxy)propyl]furan-3-carboxamide Z168340390 ZINC36392920

Inchi
InChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15)
InChkey
CXVUEKICGYNMBG-UHFFFAOYSA-N
Canonical Smiles
C1=CC=NC(=C1)NC(=O)C2=C(NC=N2)C(=O)O
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 436088-75-4 EC: T6425113 ·ECHA C&L Inventory for CAS: CAS: 436088-75-4 EC: T6425113
Computational chemical data
  • Molecular Weight:232.199g/mol
  • Molecular Formula:C25H29N3O6S
  • Compound Is Canonicalized:True
  • Exact Mass:232.06
  • Monoisotopic Mass:232.06
  • Complexity:310
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:17
  • 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
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