CAS | 78663-07-7 |
Structure | |
Synonyms | N-Carbobenzoxy-D-aspartic Acid |
IUPAC Name | (2R)-2-(phenylmethoxycarbonylamino)butanedioic acid |
Molecular Weight | 267.23 |
Molecular Formula | C12H13NO6 |
Canonical SMILES | C1=CC=C(C=C1)COC(=O)N[C@H](CC(=O)O)C(=O)O |
InChI | InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m1/s1 |
InChI Key | XYXYXSKSTZAEJW-SECBINFHSA-N |
Boiling Point | 472.8±45.0 °C |
Melting Point | 117 °C |
Purity | 98% |
Density | 1.404±0.06 g/ml |
Refractive Index | -10 ° (C=7, AcOH) |
pKa | 3.75±0.23 |
Appearance | White to off-white solid |
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