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2,5-Dimethoxy-3,6-bis(methoxymethoxy)benzaldehyde

HCID 13675419
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COCOc1cc(OC)c(OCOC)c(C=O)c1OC
InChIKey
QWITVRRTQMQCSA-UHFFFAOYSA-N
Molecular formula
C13H18O7
Average molar mass
286.28 g/mol

Names & identifiers

Preferred name
2,5-Dimethoxy-3,6-bis(methoxymethoxy)benzaldehyde
IUPAC
2,5-dimethoxy-3,6-bis(methoxymethoxy)benzaldehyde

Names & synonyms

SCHEMBL9578716QWITVRRTQMQCSA-UHFFFAOYSA-N2,5-dimethoxy-3,6-bis(methoxymethoxy)benzaldehyde

Database identifiers

PubChem CID
13675419

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
72.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
273

Related reactions

4 records
New reaction record
HRID 88506 reaction equation
HRID 88506As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 307466 reaction equation
HRID 307466As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1588130 reaction equation
HRID 1588130As productuspto-grants-1993_06
HRID 1588131 reaction equation
HRID 1588131As reactantuspto-grants-1993_06

Compound notes

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