4-Methyl-2-Oxo-2H-Chromen-7-Yl 4-[(Diaminomethylene)Amino]Benzoate

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Properties Simple | Detailed

Formula C18H15N3O4
IUPAC Name (4-methyl-2-oxo-chromen-7-yl) 4-guanidinobenzoate
Molecular Mass 337.329 g·mol−1
Heat of Formation -365.6 ± 16.7 kJ·mol−1
Dipole Moment 9.75 ± 1.08 D
Volume 379.86 Å 3
Surface Area 352.01 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (4-methyl-2-oxo-chromen-7-yl) 4-(diaminomethylideneamino)benzoate
  • (4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate
  • 4-guanidinobenzoic acid (2-keto-4-methyl-chromen-7-yl) ester
  • 4-guanidinobenzoic acid (4-methyl-2-oxo-7-chromenyl) ester
  • 4-methylumbelliferylguanidinobenzoate
  • benzoic acid, 4-((aminoiminomethyl)amino)-, 4-methyl-2-oxo-2h-1-benzopyran-7-yl ester
CAS Number(s)
  • 57817-70-6
InChIKey AHAAYVQLZJYEOX-UHFFFAOYSA-N
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