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3-Heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (HCID 22490329)|Huagongshe
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Compound
3-Heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
HCID
22490329
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCC(=O)N1C(=O)OCC1C(C)C
InChIKey
NQPAXHBLTMWQLS-UHFFFAOYSA-N
Molecular formula
C13H23NO3
Average molar mass
241.33 g/mol
Names & identifiers
Preferred name
3-Heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
IUPAC
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
Names & synonyms
SCHEMBL6159324
Database identifiers
PubChem CID
22490329
Properties
Computed structural properties
XLogP
3.5
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
276
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Related reactions
4 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
140755
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
192363
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
200340
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1232875
As product
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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