Basic information
- CAS
4194-69-8- Standard SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].O=C(O)CC(O)(CC(=O)O)C(=O)[O-].[In+3]- InChIKey
QJHIAYKJDVPZSR-UHFFFAOYSA-K- Molecular formula
- C18H21InO21
- Average molar mass
- 688.2 g/mol
- Monoisotopic mass
- 687.9614114
Names & identifiers
- Preferred name
- Unii-P7rcn32R8Q
- IUPAC
- tris(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate);indium(3+)
Names & synonyms
4194-69-8NSC 77165UNII-P7RCN32R8Q
Database identifiers
- CAS
4194-69-8- PubChem CID
- 20163
Properties
Computed structural properties
- Topological polar surface area
- 405 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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