3-(3,4-Dihydroxy-phenyl)-2-propenal

HCID 443034
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Basic information

Standard SMILES
O=CC=Cc1ccc(O)c(O)c1
InChIKey
AXMVYSVVTMKQSL-UHFFFAOYSA-N
Molecular formula
C9H8O3
Average molar mass
164.16 g/mol

Overview

caffeic aldehyde has been reported in Petasites tricholobus, Tachigali paniculata, and Syagrus romanzoffiana with data available.

Names & identifiers

Preferred name
3-(3,4-Dihydroxy-phenyl)-2-propenal
IUPAC
3-(3,4-dihydroxyphenyl)prop-2-enal

Names & synonyms

3-(3,4-dihydroxy-phenyl)-2-propenalSCHEMBL197801SCHEMBL663936SCHEMBL21313415AXMVYSVVTMKQSL-UHFFFAOYSA-NAKOS017884353

Database identifiers

PubChem CID
443034

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Related reactions

9 records
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Compound notes

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