Basic information
- CAS
51594-78-6- Standard SMILES
COc1c(C(=O)/C=C/c2ccc(O)cc2)c(OCC(=O)O)c(OC)c2occc12- InChIKey
XIDRHVRUBSKXTF-VMPITWQZSA-N- Molecular formula
- C21H18O8
- Average molar mass
- 398.4 g/mol
- Monoisotopic mass
- 398.10016753
Names & identifiers
- Preferred name
- Acetic acid, ((4,7-dimethoxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-benzofuranyl)oxy)-
- IUPAC
- 2-[[5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4,7-dimethoxy-1-benzofuran-6-yl]oxy]acetic acid
Names & synonyms
Acetic acid, ((4,7-dimethoxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-benzofuranyl)oxy)-51594-78-6RefChem:1075524((4,7-Dimethoxy-5-(3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-6-benzofuranyl)oxy)acetic acid(Hydroxy-4' cinnamoyl)-5 dimethoxy-4,7 carboxymethoxy-6 benzofuranne [French](Hydroxy-4' cinnamoyl)-5 dimethoxy-4,7 carboxymethoxy-6 benzofuranne
Database identifiers
- CAS
51594-78-6- PubChem CID
- 6445902
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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