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3-(Hydroxymethylene)-tetrahydropyran-2-one (HCID 67906153)|Huagongshe
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Compound
3-(Hydroxymethylene)-tetrahydropyran-2-one
HCID
67906153
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C1OCCCC1=CO
InChIKey
YLQDXCAHIIESME-UHFFFAOYSA-N
Molecular formula
C6H8O3
Average molar mass
128.13 g/mol
Names & identifiers
Preferred name
3-(Hydroxymethylene)-tetrahydropyran-2-one
IUPAC
3-(hydroxymethylidene)oxan-2-one
Names & synonyms
SCHEMBL9686986
YLQDXCAHIIESME-UHFFFAOYSA-N
3-(hydroxymethylene)-tetrahydropyran-2-one
Database identifiers
PubChem CID
67906153
Properties
Computed structural properties
XLogP
1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Formal charge
0
Complexity
148
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
286381
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
729081
As reactant
uspto-grants-1991_09
Compound notes
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