Basic information
- CAS
58161-69-6- Standard SMILES
COc1cc(C=C2C(=O)C=CC2=O)cc(OC)c1OC- InChIKey
MXWOWFVKDKDJOL-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Names & identifiers
- Preferred name
- 2-[(3,4,5-Trimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
- IUPAC
- 2-[(3,4,5-trimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
Names & synonyms
58161-69-6NSC2683502-[(3,4,5-trimethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dioneCHEMBL3275865DTXSID20313265NSC-268350
Database identifiers
- CAS
58161-69-6- PubChem CID
- 320484
- DTXSID
DTXSID20313265- ChEMBL
CHEMBL3275865
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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