Basic information
- Standard SMILES
COCOc1ccc(C=Cc2ccc(C(=O)O)cc2)cc1OCOC- InChIKey
ZQABEPOJXGQBKQ-UHFFFAOYSA-N- Molecular formula
- C19H20O6
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.12598835
Names & identifiers
- Preferred name
- 4-[2-(3,4-Bis-methoxymethoxy-phenyl)-vinyl]-benzoic Acid
- IUPAC
- 4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
Names & synonyms
SCHEMBL4254565ZQABEPOJXGQBKQ-UHFFFAOYSA-N4-[2-(3,4-Bis-methoxymethoxy-phenyl)-vinyl]-benzoic Acid
Database identifiers
- PubChem CID
- 68976237
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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