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About This Item
Empirical Formula (Hill Notation):
C9H13N3O4 · xH2O
CAS Number:
Molecular Weight:
227.22 (anhydrous basis)
Beilstein/REAXYS Number:
87567
EC Number:
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.22
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assay
≥99% (HPLC)
form
crystals
optical activity
[α]25/D +54°, c = 2 in H2O
mp
209-211 °C (lit.)
SMILES string
O.NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2
InChI
1S/C9H13N3O4.H2O/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H2/t5-,6+,8+;/m0./s1
InChI key
HXBGOHZLZCFWLH-OERIEOFYSA-N
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Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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