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About This Item
Empirical Formula (Hill Notation):
C12H13NO5
CAS Number:
Molecular Weight:
251.24
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Quality Segment
assay
98%
form
solid
optical activity
[α]20/D +92°, c = 1 in chloroform
optical purity
ee: 97% (HPLC)
manufacturer/tradename
ECACC
mp
70-74 °C (lit.)
functional group
carboxylic acid, ether, phenyl
SMILES string
OC(=O)[C@H]1COCN1C(=O)OCc2ccccc2
InChI
1S/C12H13NO5/c14-11(15)10-7-17-8-13(10)12(16)18-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)/t10-/m1/s1
InChI key
XRRRGBIMHQARMF-SNVBAGLBSA-N
Application
Useful chiral synthon (derived from serine) for the asymmetric synthesis of a variety of nitrogen-containing targets.
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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