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4-Methoxy-8,9-dihydro-5,7-dioxabenzocycloheptene-2-carbaldehyde

HCID 59517047
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C=O)cc2c1OCOCC2
InChIKey
NYADPCMAWSMAFB-UHFFFAOYSA-N
Molecular formula
C11H12O4
Average molar mass
208.21 g/mol

Names & identifiers

Preferred name
4-Methoxy-8,9-dihydro-5,7-dioxabenzocycloheptene-2-carbaldehyde
IUPAC
9-methoxy-4,5-dihydro-1,3-benzodioxepine-7-carbaldehyde

Names & synonyms

SCHEMBL1620516NYADPCMAWSMAFB-UHFFFAOYSA-N4-methoxy-8,9-dihydro-5,7-dioxabenzocycloheptene-2-carbaldehyde

Database identifiers

PubChem CID
59517047

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
219

Related reactions

4 records
New reaction record
HRID 960104 reaction equation
HRID 960104As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1161492 reaction equation
HRID 1161492As productuspto-grants-2010_10
HRID 1698738 reaction equation
HRID 1698738As productuspto-grants-2012_04
HRID 2079215 reaction equation
HRID 2079215As productuspto-grants-2011_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes