Basic information
- CAS
5345-62-0- Standard SMILES
CCCCCCCCCOC(=O)CI- InChIKey
IKPAMRQMGGQHLX-UHFFFAOYSA-N- Molecular formula
- C11H21IO2
- Average molar mass
- 312.19 g/mol
- Monoisotopic mass
- 312.05863
Names & identifiers
- Preferred name
- Nonyl iodoacetate
- IUPAC
- nonyl 2-iodoacetate
Names & synonyms
Nonyl iodoacetate5345-62-0IODOACETIC ACID, NONYL ESTERSCHEMBL21811483DTXSID40968130NSC1714IKPAMRQMGGQHLX-UHFFFAOYSA-NNSC-1714
Database identifiers
- CAS
5345-62-0- PubChem CID
- 219912
- DTXSID
DTXSID40968130
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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