4-(Carboxyamino)-3-[(Diaminomethylene)Amino]Benzoic Acid

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Properties Simple | Detailed

Formula C9H10N4O4
IUPAC Name 4-(carboxyamino)-3-guanidino-benzoic acid
Molecular Mass 238.200 g·mol−1
Heat of Formation -606.0 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 258.75 Å 3
Surface Area 248.81 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(carboxyamino)-3-(diaminomethylideneamino)benzoic acid
  • 4-(carboxyamino)-3-guanidinobenzoic acid
  • bana113
  • benzoic acid, 3-[(aminoiminomethyl)amino]-4-(carboxyamino)-
InChIKey ILPYBHHTTOKPLD-UHFFFAOYSA-N
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