{4-[2-Benzyl-3-Methoxy-2-(Methoxycarbonyl)-3-Oxopropyl]Phenyl}Sulfamic Acid

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Properties Simple | Detailed

Formula C19H21NO7S
IUPAC Name [4-(2-benzyl-3-methoxy-2-methoxycarbonyl-3-oxo-propyl)phenyl]sulfamic acid
Molecular Mass 407.438 g·mol−1
Heat of Formation -1069.9 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 462.01 Å 3
Surface Area 373.78 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • 2un
  • [4-[2-(benzyl)-2-carbomethoxy-3-keto-3-methoxy-propyl]phenyl]sulfamic acid
  • [4-[3-methoxy-2-methoxycarbonyl-3-oxo-2-(phenylmethyl)propyl]phenyl]sulfamic acid
InChIKey SUACYXRSGYYBGT-UHFFFAOYSA-N
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