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2-Cyclo-hexylpropionate (HCID 22016473)|Huagongshe
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Compound
2-Cyclo-hexylpropionate
HCID
22016473
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(C(=O)[O-])C1CCCCC1
InChIKey
VRLUSLNMNQAPOH-UHFFFAOYSA-M
Molecular formula
C9H15O2-
Average molar mass
155.21 g/mol
Monoisotopic mass
155.10720472
Names & identifiers
Preferred name
2-Cyclo-hexylpropionate
IUPAC
2-cyclohexylpropanoate
Names & synonyms
2-cyclo-hexylpropionate
VRLUSLNMNQAPOH-UHFFFAOYSA-M
Database identifiers
PubChem CID
22016473
Properties
Computed structural properties
XLogP
3.7
Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Formal charge
-1
Complexity
131
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
728540
As reactant
uspto-grants-1991_09
HRID
2317274
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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