Methyl 2-(3,6-Diamino-9H-Xanthen-9-Yl)Benzoate

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Formula C21H18N2O3
IUPAC Name methyl 2-(3,6-diamino-9h-xanthen-9-yl)benzoate
Molecular Mass 346.379 g·mol−1
Heat of Formation -232.5 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 402.76 Å 3
Surface Area 345.03 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,6-diamino-9h-xanthen-9-yl)benzoic acid methyl ester
  • benzoic acid, 2-(3,6-diamino-9h-xanthen-9-yl)-, methyl ester
  • dihydrorhodamine 123
CAS Number(s)
  • 109244-58-8
InChIKey FNEZBBILNYNQGC-UHFFFAOYSA-N
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