Basic information
- CAS
2731-36-4- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1C=CC2- InChIKey
NCZPXNZTZCVAGH-UHFFFAOYSA-N- Molecular formula
- C20H20O5
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.13107373
Names & identifiers
- Preferred name
- 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
- IUPAC
- 1,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-one
Names & synonyms
2731-36-41,2,3,9-tetramethoxy-5H-benzo[a]heptalen-10-oneNSC317029DTXSID10317499NSC-3170291,2,3,9-Tetramethoxybenzo[a]heptalen-10(5H)-one
Database identifiers
- CAS
2731-36-4- PubChem CID
- 330192
- DTXSID
DTXSID10317499
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 642
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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