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About This Item
Empirical Formula (Hill Notation):
C12H13NO4
CAS Number:
Molecular Weight:
235.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
assay
97%
optical activity
[α]21/D −49°, c = 1 in acetone
mp
103-105 °C (lit.)
SMILES string
O=C1C[C@@H](CO1)NC(=O)OCc2ccccc2
InChI
1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChI key
BNIBNUOPVTZWRT-JTQLQIEISA-N
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