Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester
Basic information
- CAS
51928-81-5- Standard SMILES
O=C(OCC(O)CO)c1ccccc1I- InChIKey
WLDHWPBTQPAKMA-UHFFFAOYSA-N- Molecular formula
- C10H11IO4
- Average molar mass
- 322.1 g/mol
- Monoisotopic mass
- 321.97021
Names & identifiers
- Preferred name
- Benzoic acid, 2-iodo-, 2,3-dihydroxypropyl ester
- IUPAC
- 2,3-dihydroxypropyl 2-iodobenzoate
Names & synonyms
BENZOIC ACID, 2-IODO-, 2,3-DIHYDROXYPROPYL ESTER51928-81-5RefChem:10789892-Iodobenzoic acid 2,3-dihydroxypropyl esterBRN 21157982,3-dihydroxypropyl 2-iodobenzoate2-(beta,gamma-Dihydroxypropoxycarbonyl)iodobenzeneSCHEMBL11335975DTXSID20966250
Database identifiers
- CAS
51928-81-5- PubChem CID
- 40181
- DTXSID
DTXSID20966250
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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