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3,4-Dimethoxycinnamoylchloride

HCID 53399206
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C=CC(=O)Cl)cc1OC
InChIKey
HGDZRSNJGRIAKS-UHFFFAOYSA-N
Molecular formula
C11H11ClO3
Average molar mass
226.65 g/mol

Names & identifiers

Preferred name
3,4-Dimethoxycinnamoylchloride
IUPAC
3-(3,4-dimethoxyphenyl)prop-2-enoyl chloride

Names & synonyms

3,4-dimethoxycinnamoylchlorideSCHEMBL1589619SCHEMBL29503043HGDZRSNJGRIAKS-UHFFFAOYSA-NRFA23646AKOS030255272

Database identifiers

PubChem CID
53399206

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
240

Related reactions

14 records
New reaction record
HRID 36923 reaction equation
HRID 36923As productuspto-grants-1995_05
HRID 50893 reaction equation
HRID 50893As reactantuspto-grants-2004_03
HRID 193301 reaction equation
HRID 193301As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 258031 reaction equation
HRID 258031As productuspto-grants-1993_11
HRID 259865 reaction equation
HRID 259865As reactantuspto-grants-1996_06
HRID 382535 reaction equation
HRID 382535As reactantuspto-grants-2001_10
HRID 1124153 reaction equation
HRID 1124153As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1150105 reaction equation
HRID 1150105As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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Compound notes

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