Mls003106881
Basic information
- CAS
6704-25-2- Standard SMILES
COc1ccc(CC(=O)Cc2ccc(OC)c(OC)c2)cc1OC- InChIKey
SCKCUJAVKIVTSL-UHFFFAOYSA-N- Molecular formula
- C19H22O5
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1467238
Names & identifiers
- Preferred name
- Mls003106881
- IUPAC
- 1,3-bis(3,4-dimethoxyphenyl)propan-2-one
Names & synonyms
6704-25-2MLS003106881DTXSID90306508RefChem:357279DTXCID202576351,3-bis(3,4-dimethoxyphenyl)propan-2-oneVeratryl-KetoneNSC176998CHEMBL1879175SCHEMBL11187045SCHEMBL30859524STL507971
Show more names
AKOS022183411NSC-176998SMR001821766DS-008307
Database identifiers
- CAS
6704-25-2- PubChem CID
- 301063
- DTXSID
DTXSID90306508- ChEMBL
CHEMBL1879175- Nikkaji
- J573.517C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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