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4-(12-Hydroxy-dodecyloxy)-benzaldehyde (HCID 22987548)|Huagongshe
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Compound
4-(12-Hydroxy-dodecyloxy)-benzaldehyde
HCID
22987548
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=Cc1ccc(OCCCCCCCCCCCCO)cc1
InChIKey
VGAAPMRNBKXZMA-UHFFFAOYSA-N
Molecular formula
C19H30O3
Average molar mass
306.4 g/mol
Names & identifiers
Preferred name
4-(12-Hydroxy-dodecyloxy)-benzaldehyde
IUPAC
4-(12-hydroxydodecoxy)benzaldehyde
Names & synonyms
SCHEMBL6851533
VGAAPMRNBKXZMA-UHFFFAOYSA-N
4-(12-Hydroxy-dodecyloxy)-benzaldehyde
Database identifiers
PubChem CID
22987548
Properties
Computed structural properties
XLogP
5.5
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
14
Heavy atoms
22
Formal charge
0
Complexity
247
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
117553
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
960873
As reactant
Validation data from https://doi.org/10.1039/C8SC04228D
HRID
987342
As product
uspto-grants-2003_10
HRID
987345
As reactant
uspto-grants-2003_10
Compound notes
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