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Methyl 3-azido-4-hydroxycyclopentane-1-carboxylate (HCID 91023410)|Huagongshe
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Compound
Methyl 3-azido-4-hydroxycyclopentane-1-carboxylate
HCID
91023410
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C1CC(O)C(N=[N+]=[N-])C1
InChIKey
JDTDXLGZPXWEEI-UHFFFAOYSA-N
Molecular formula
C7H11N3O3
Average molar mass
185.18 g/mol
Names & identifiers
Preferred name
Methyl 3-azido-4-hydroxycyclopentane-1-carboxylate
IUPAC
methyl 3-azido-4-hydroxycyclopentane-1-carboxylate
Names & synonyms
SCHEMBL27740704
Database identifiers
PubChem CID
91023410
Properties
Computed structural properties
XLogP
0.9
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
249
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
199348
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
820564
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
939769
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
1140421
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1142487
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes
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