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Compound
2-[[4-Methoxy-3-(1-methoxypropoxy)phenyl]methylidene]-3-methylbutanal
HCID
86644013
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Basic information
Standard SMILES
CCC(OC)Oc1cc(C=C(C=O)C(C)C)ccc1OC
InChIKey
ZVWKHRIZAXWVRR-UHFFFAOYSA-N
Molecular formula
C17H24O4
Average molar mass
292.4 g/mol
Names & identifiers
Preferred name
2-[[4-Methoxy-3-(1-methoxypropoxy)phenyl]methylidene]-3-methylbutanal
IUPAC
2-[[4-methoxy-3-(1-methoxypropoxy)phenyl]methylidene]-3-methylbutanal
Names & synonyms
SCHEMBL221033
Database identifiers
PubChem CID
86644013
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
21
Formal charge
0
Complexity
338
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Related reactions
1 records
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HRID
204330
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Compound notes
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