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Home> Encyclopedia > Hot Product Listed 5   > 5-Benzofurancarboximidamide,2-[4-(aminoiminomethyl)phenyl]-
793717-08-5 structure

5-Benzofurancarboximidamide,2-[4-(aminoiminomethyl)phenyl]-

Iupac Name:(2R)-2-amino-3-(1-benzofuran-3-yl)propanoic acid
CAS No.:793717-08-5
EINECS(EC#): 245-158-3
Molecular Weight:205.213
Molecular Formula:C12H14O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C11H11NO3/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m1/s1
InChkey
IIQKYWMOMQWBER-SECBINFHSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=CO2)CC(C(=O)O)N
Computational chemical data
  • Molecular Weight:205.213g/mol
  • Molecular Formula:C12H14O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.8
  • Exact Mass:205.074
  • Monoisotopic Mass:205.074
  • Complexity:244
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:76.5A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:1
  • 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: AAADccByMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgB8AAAHgAQCAAADCzhmAYwDsBABkCI AqjSiAACCAAkIAAIiIGGCMgOJjKEtRuCeSCk0BEIqYe8//megAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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