n-Propyl ferulate

HCID 9881169
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Basic information

Standard SMILES
CCCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIKey
XTSFEXUEVQUSQE-FNORWQNLSA-N
Molecular formula
C13H16O4
Average molar mass
236.26 g/mol
Monoisotopic mass
236.10485899

Names & identifiers

Preferred name
n-Propyl ferulate
IUPAC
propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Names & synonyms

n-propyl ferulateCHEMBL2088764SCHEMBL17518771SCHEMBL31612183XTSFEXUEVQUSQE-FNORWQNLSA-N

Database identifiers

PubChem CID
9881169
ChEMBL
CHEMBL2088764
Nikkaji
J2.146.298E、J729.907I

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

3 records
New reaction record

Linked notes

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