Chemical Component Summary

Name2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Identifiers2-phenylethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
FormulaC17 H16 O4
Molecular Weight284.307
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O
InChIInChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChIKeySWUARLUWKZWEBQ-VQHVLOKHSA-N

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL319244
PubChem 5281787
ChEMBL CHEMBL319244
ChEBI CHEBI:93478, CHEBI:8062
CCDC/CSD IQUKAG, ETONIM