4-({4-[(Diaminomethylene)Amino]Benzoyl}Oxy)Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H13N3O4
IUPAC Name 4-(4-guanidinobenzoyl)oxybenzoic acid
Molecular Mass 299.281 g·mol−1
Heat of Formation -445.5 ± 16.7 kJ·mol−1
Dipole Moment 8.83 ± 1.08 D
Volume 335.17 Å 3
Surface Area 317.11 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4'-carboxyphenyl 4-guanidinobenzoate
  • 4'-cpgb
  • 4-[(4-guanidinophenyl)-oxomethoxy]benzoic acid
  • 4-[4-(diaminomethylideneamino)benzoyl]oxybenzoic acid
  • 4-[4-(diaminomethylideneamino)phenyl]carbonyloxybenzoic acid
  • benzoic acid, 4-((aminoiminomethyl)amino)-, 4-carboxyphenyl ester
CAS Number(s)
  • 57438-36-5
InChIKey BYYHNSYDTLKWGL-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N