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About This Item
Empirical Formula (Hill Notation):
C16H17NO3 · C7H8O3S
CAS Number:
Molecular Weight:
443.51
EC Number:
258-650-8
UNSPSC Code:
12352200
PubChem Substance ID:
Beilstein/REAXYS Number:
3855339
MDL number:
assay
≥97% (TLC)
form
powder
color
white
storage temp.
−20°C
SMILES string
Cc1ccc(cc1)S(O)(=O)=O.N[C@@H](Cc2ccc(O)cc2)C(=O)OCc3ccccc3
InChI
1S/C16H17NO3.C7H8O3S/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15,18H,10-11,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m0./s1
InChI key
PJGVHBLZZQDFFM-RSAXXLAASA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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J Negrel et al.
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