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[3-Amino-2,2-bis(nitrooxymethyl)-3-oxopropyl] nitrate (HCID 15380872)|Huagongshe
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Compound
[3-Amino-2,2-bis(nitrooxymethyl)-3-oxopropyl] nitrate
HCID
15380872
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
NC(=O)C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChIKey
WRICBXYUDUCISR-UHFFFAOYSA-N
Molecular formula
C5H8N4O10
Average molar mass
284.14 g/mol
Names & identifiers
Preferred name
[3-Amino-2,2-bis(nitrooxymethyl)-3-oxopropyl] nitrate
IUPAC
[3-amino-2,2-bis(nitrooxymethyl)-3-oxopropyl] nitrate
Names & synonyms
SCHEMBL7662206
Database identifiers
PubChem CID
15380872
Properties
Computed structural properties
XLogP
-0.3
Topological polar surface area
208 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
19
Formal charge
0
Complexity
320
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
938334
As product
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1230644
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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