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2-[[4-Methoxy-3-(1-methoxypropoxy)phenyl]methylidene]-3-methylbutanal

HCID 86644013
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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

Related reactions

1 records
New reaction record
HRID 204330 reaction equation
HRID 204330As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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