Basic information
- CAS
54378-29-9- Standard SMILES
O=C(O)CNC(=O)c1ccccc1[123I]- InChIKey
CORFWQGVBFFZHF-YWNMBFHISA-N- Molecular formula
- C9H8INO3
- Average molar mass
- 301.07 g/mol
- Monoisotopic mass
- 300.95601
Names & identifiers
- Preferred name
- Iodohippuric acid I-123
- IUPAC
- 2-[(2-(123I)iodobenzoyl)amino]acetic acid
Names & synonyms
Iodohippuric acid I-123UNII-G4586WF35M54378-29-9G4586WF35Mo-Iodohippuric-123I acidGlycine, N-(2-(iodo-(123)I)benzoyl)-DTXSID101027422O-IODOHIPPURIC ACID I-123O-IODOHIPPURIC ACID, I-123GLYCINE, N-(2-(IODO-123I)BENZOYL)-Q27278720
Database identifiers
- CAS
54378-29-9- PubChem CID
- 65347
- DTXSID
DTXSID101027422- UNII
- G4586WF35M
- Nikkaji
- J366.859B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…