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About This Item
Empirical Formula (Hill Notation):
C13H15NO3
CAS Number:
Molecular Weight:
233.26
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Quality Segment
assay
99%
form
solid
optical activity
[α]20/D +97°, c = 1 in ethanol
optical purity
ee: 99% (HPLC)
mp
44-46 °C (lit.)
functional group
phenyl
SMILES string
CCC(=O)N1[C@H](COC1=O)Cc2ccccc2
InChI
1S/C13H15NO3/c1-2-12(15)14-11(9-17-13(14)16)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3/t11-/m0/s1
InChI key
WHOBYFHKONUTMW-NSHDSACASA-N
Application
Versatile chiral auxiliary for asymmetric synthesis.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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