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About This Item
Empirical Formula (Hill Notation):
C12H15NO8 · xH2O
CAS Number:
Molecular Weight:
301.25 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
EC Number:
221-584-5
MDL number:
assay
98%
optical activity
[α]22/D −84.0°, c = 0.3 in H2O
mp
180-184 °C (lit.)
SMILES string
[H]O[H].OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
InChI
1S/C12H15NO8.H2O/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19;/h1-4,8-12,14-17H,5H2;1H2/t8-,9+,10+,11-,12-;/m1./s1
InChI key
KSEGJDPERYLUSV-YOGPMPDXSA-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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