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About This Item
Empirical Formula (Hill Notation):
C13H15NO4
CAS Number:
Molecular Weight:
249.26
EC Number:
214-557-4
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
88579
MDL number:
grade
puriss.
assay
≥99.0% (T)
optical activity
[α]20/D −60±1°, c = 5% in acetic acid
mp
75-77 °C, 76-78 °C (lit.)
SMILES string
N.OP(O)(O)=O, OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2
InChI
1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
InChI key
JXGVXCZADZNAMJ-NSHDSACASA-N
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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