Basic information
- CAS
55790-22-2- Standard SMILES
O=C(O)CNC(=O)c1ccc(I)cc1- InChIKey
DVALMHFCJYLXPH-UHFFFAOYSA-N- Molecular formula
- C9H8INO3
- Average molar mass
- 305.07 g/mol
- Monoisotopic mass
- 304.95489
Names & identifiers
- Preferred name
- p-Iodohippuric acid
- IUPAC
- 2-[(4-iodobenzoyl)amino]acetic acid
- English name
- p-Iodohippurate
- Molecular formula
- C9H8INO3
- Molecular weight
- 305.07
Names & synonyms
p-Iodohippuric acid55790-22-2N-(4-Iodobenzoyl)glycine2-[(4-iodobenzoyl)amino]acetic acidGlycine, N-(4-iodobenzoyl)-2-(4-iodobenzamido)acetic acid(4-Iodobenzoyl)glycineBRN 1967780HIPPURIC ACID, p-IODO-Glycine, N-(4-iodobenzoyl)- (9CI)2-[(4-iodophenyl)formamido]acetic acidQMT43J5R8Z
Show more names
p-Iodohippurate4-iodohippuric acid(p-Iodobenzoyl)aminoacetic acid
SCHEMBL1512709CHEMBL6199156DTXSID50204359DVALMHFCJYLXPH-UHFFFAOYSA-NMFCD01723044AKOS005068187SY400631A1-04977
Database identifiers
- CAS
55790-22-2- PubChem CID
- 41575
- DTXSID
DTXSID50204359- ChEMBL
CHEMBL6199156- UNII
- QMT43J5R8Z
- Nikkaji
- J59.840B
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 188 · 188-190 °C
- Boiling point
- 486.6 · 486.6±30.0 °C(Predicted)
- Density
- 1.871 · 1.871±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.10(Predicted)
Chemistry & industry
Suppliers3 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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