Basic information
- CAS
22736-30-7- Standard SMILES
COC(=O)C(=C1OC(=O)C(c2ccc(OC)cc2)=C1OC)c1ccccc1- InChIKey
CLOXWXMRGIFQET-UHFFFAOYSA-N- Molecular formula
- C21H18O6
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.11033829
Names & identifiers
- Preferred name
- Agn-PC-0JU41T
- IUPAC
- methyl 2-[3-methoxy-4-(4-methoxyphenyl)-5-oxofuran-2-ylidene]-2-phenylacetate
- English name
- 2-Phenyl-2-[(2E)-3-methoxy-4-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid methyl ester
- Molecular weight
- 0
Names & synonyms
22736-30-7AGN-PC-0JU41TDTXSID60348218Methyl [3-methoxy-4-(4-methoxyphenyl)-5-oxofuran-2(5H)-ylidene](phenyl)acetate2-Phenyl-2-[(2E)-3-methoxy-4-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-2-ylidene]acetic acid methyl esterMethyl pinastrateα-[(2E)-3-Methoxy-4-(4-methoxyphenyl)-5-oxofuran-2(5H)-ylidene]benzeneacetic acid methyl ester
Database identifiers
- CAS
22736-30-7- PubChem CID
- 632599
- DTXSID
DTXSID60348218
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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