Barium hydrogen 1-oxopropane-1,2,3-tricarboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
94313-94-7- Standard SMILES
O=C([O-])CC(C(=O)[O-])C(=O)C(=O)O.[Ba+2]- InChIKey
CIVPYUFTSJMQBK-UHFFFAOYSA-L- Molecular formula
- C6H4BaO7
- Average molar mass
- 325.42 g/mol
- Monoisotopic mass
- 325.90095
Names & identifiers
- Preferred name
- Barium hydrogen 1-oxopropane-1,2,3-tricarboxylate
- IUPAC
- barium(2+);2-oxalobutanedioate
- English name
- barium hydrogen 1-oxopropane-1,2,3-tricarboxylate
- Molecular formula
- C6H4BaO7
- Molecular weight
- 325.41876
Names & synonyms
94313-94-7Barium hydrogen 1-oxopropane-1,2,3-tricarboxylateEINECS 304-993-4Barium 2-oxalobutanedioateDTXSID50915670CIVPYUFTSJMQBK-UHFFFAOYSA-LAKOS0158562132-oxalobutanedioate
Database identifiers
- CAS
94313-94-7- PubChem CID
- 44144752
- DTXSID
DTXSID50915670- EC Number
- 304-993-4
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…