Basic information
- CAS
52337-77-6- Standard SMILES
Cc1ccccc1C(=O)[O-].Cc1ccccc1C(=O)[O-].[Ba+2]- InChIKey
SKJBHRKKXLMKRL-UHFFFAOYSA-L- Molecular formula
- C16H14BaO4
- Average molar mass
- 407.6 g/mol
- Monoisotopic mass
- 407.994456
Names & identifiers
- Preferred name
- Benzoic acid, 2-methyl-, barium salt (2:1)
- IUPAC
- barium(2+);bis(2-methylbenzoate)
Names & synonyms
Barium o-methylbenzoateBarium 2-methylbenzoate52337-77-6EINECS 257-859-1Benzoic acid, 2-methyl-, barium salt (2:1)Benzoic acid, 2-methyl-, barium saltDTXSID90890876RefChem:118367DTXCID501030124Barium o-toluateBarium bis(2-methylbenzoate)SKJBHRKKXLMKRL-UHFFFAOYSA-L
Show more names
NS00087414
Database identifiers
- CAS
52337-77-6- PubChem CID
- 62015
- DTXSID
DTXSID90890876- EC Number
- 257-859-1
- Nikkaji
- J162.882H
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 126
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-methyl-, barium salt (2:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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