1,6-Dimethylpyrene
Basic information
- CAS
27984-16-3- Standard SMILES
Cc1ccc2ccc3c(C)ccc4ccc1c2c43- InChIKey
ZRMDNMCLOTYRPK-UHFFFAOYSA-N- Molecular formula
- C18H14
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.10955045
Names & identifiers
- Preferred name
- 1,6-Dimethylpyrene
- IUPAC
- 1,6-dimethylpyrene
- English name
- 1,6-dimethylpyrene
- Molecular formula
- C18H14
- Molecular weight
- 230.3
Names & synonyms
1,6-Dimethylpyrene27984-16-3Pyrene, 1,6-dimethyl-7440720V4NDTXSID10182265RefChem:73605DTXCID20104756UNII-7440720V4NSCHEMBL16250698MFCD32856556F73831F867847
Show more names
Q27266235
Database identifiers
- CAS
27984-16-3- PubChem CID
- 147190
- DTXSID
DTXSID10182265- UNII
- 7440720V4N
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- FDA UNII
- 7440720 V4N · 7440720V4N
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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