4-{[(Diaminomethylene)Amino]Oxy}-2-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C5H9N3O4
IUPAC Name 4-guanidinooxy-2-oxo-butanoic acid
Molecular Mass 175.143 g·mol−1
Heat of Formation -514.2 ± 16.7 kJ·mol−1
Dipole Moment 0.55 ± 1.08 D
Volume 195.7 Å 3
Surface Area 197.59 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(diaminomethylideneamino)oxy-2-oxo-butanoic acid
  • 4-(diaminomethylideneamino)oxy-2-oxobutanoic acid
  • 4-guanidinooxy-2-keto-butyric acid
  • 4-guanidinooxy-2-oxobutanoic acid
  • butanoic acid, 4-(((aminoiminomethyl)amino)oxy)-2-oxo-
  • ketocanavanine
CAS Number(s)
  • 17774-31-1
InChIKey BGGQEGFCBYFXNC-UHFFFAOYSA-N
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