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Methyl 10-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate (HCID 20652174)|Huagongshe
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Compound
Methyl 10-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
HCID
20652174
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)C1=COC(O)C2C1CC1OC12C
InChIKey
WPQFJDRKVXVMDD-UHFFFAOYSA-N
Molecular formula
C11H14O5
Average molar mass
226.23 g/mol
Names & identifiers
Preferred name
Methyl 10-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
IUPAC
methyl 10-hydroxy-2-methyl-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
Database identifiers
PubChem CID
20652174
Properties
Computed structural properties
XLogP
0
Topological polar surface area
68.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
377
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
135013
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
702713
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
815322
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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