Hippuric acid, 3,5-diiodo-4-propoxy-
Basic information
- CAS
100191-73-9- Standard SMILES
CCCOc1c(I)cc(C(=O)NCC(=O)O)cc1I- InChIKey
OXWFOWCVYQQCRT-UHFFFAOYSA-N- Molecular formula
- C12H13I2NO4
- Average molar mass
- 489.04 g/mol
- Monoisotopic mass
- 488.8934
Names & identifiers
- Preferred name
- Hippuric acid, 3,5-diiodo-4-propoxy-
- IUPAC
- 2-[(3,5-diiodo-4-propoxybenzoyl)amino]acetic acid
Names & synonyms
HIPPURIC ACID, 3,5-DIIODO-4-PROPOXY-BRN 34235413,5-Diiodo-4-propoxyhippuric acid3,5-Dijod-4-propoxyhippursaeure3,5-Dijod-4-propoxyhippursaeure [German]100191-73-9DTXSID801430004-10-00-00490 (Beilstein Handbook Reference)RefChem:347817DTXCID9065491N-(3,5-diiodo-4-propoxybenzoyl)glycine
Database identifiers
- CAS
100191-73-9- PubChem CID
- 57638
- DTXSID
DTXSID80143000
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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