Barium bis(octylphenolate)
Basic information
- CAS
30259-97-3- Standard SMILES
CCCCCCCCc1ccccc1[O-].CCCCCCCCc1ccccc1[O-].[Ba+2]- InChIKey
BPDLYJNUZBXKKA-UHFFFAOYSA-L- Molecular formula
- C28H42BaO2
- Average molar mass
- 548 g/mol
- Monoisotopic mass
- 548.223728
Names & identifiers
- Preferred name
- Barium bis(octylphenolate)
- IUPAC
- barium(2+);bis(2-octylphenolate)
- English name
- barium bis(octylphenolate)
- Molecular formula
- C28H42BaO2
- Molecular weight
- 547.95888
Names & synonyms
Barium bis(octylphenolate)30259-97-3EINECS 250-105-2DTXSID20184351RefChem:116501DTXCID30106842250-105-2Barium bis(2-octylphenolate)SCHEMBL9232688BPDLYJNUZBXKKA-UHFFFAOYSA-LNS00084067barium(2+),2-octylphenolate
Database identifiers
- CAS
30259-97-3- PubChem CID
- 19007771
- DTXSID
DTXSID20184351- EC Number
- 250-105-2
- Nikkaji
- J155.211B
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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