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4-phenylmethoxycarbonylphenolate (HCID 178525045)|Huagongshe
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Compound
4-phenylmethoxycarbonylphenolate
HCID
178525045
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C(OCc1ccccc1)c1ccc([O-])cc1
InChIKey
MOZDKDIOPSPTBH-UHFFFAOYSA-M
Molecular formula
C14H11O3-
Average molar mass
227.23 g/mol
Monoisotopic mass
227.07081921
Names & identifiers
IUPAC
4-phenylmethoxycarbonylphenolate
Database identifiers
PubChem CID
151105301
Properties
Computed structural properties
XLogP
4.3
Topological polar surface area
49.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
-1
Complexity
238
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
95075
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
685953
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
2330472
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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