CAS | 1155-62-0 |
Structure | |
Synonyms | (2S)-2-(Phenylmethoxycarbonylamino)pentanedioate |
IUPAC Name | (2S)-2-(phenylmethoxycarbonylamino)pentanedioic acid |
Molecular Weight | 281.26 |
Molecular Formula | C13H15NO6 |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)O)C(=O)O |
InChI | InChI=1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1 |
InChI Key | PVFCXMDXBIEMQG-JTQLQIEISA-N |
Boiling Point | 423.93 °C |
Melting Point | 115-117 °C (lit.) |
Purity | 98% |
Density | 1.28 g/ml |
Refractive Index | -7.5 ° (C=8, AcOH) |
pKa | 3.81±0.10 |
Appearance | Off-white solid |
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