N-[4-(Hydroxymethyl)Benzoyl]-β-Alanine

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Properties Simple | Detailed

Formula C11H13NO4
IUPAC Name 3-[[4-(hydroxymethyl)benzoyl]amino]propanoic acid
Molecular Mass 223.225 g·mol−1
Heat of Formation -683.4 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 263.1 Å 3
Surface Area 254.48 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(4-methylolbenzoyl)amino]propionic acid
  • 3-[[4-(hydroxymethyl)phenyl]carbonylamino]propanoic acid
  • 3-[[[4-(hydroxymethyl)phenyl]-oxomethyl]amino]propanoic acid
InChIKey CXBCVBTXSPPVAG-UHFFFAOYSA-N
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