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Basic information
- CAS
70969-99-2- Standard SMILES
ICCCC1(c2ccccc2)OCCO1- InChIKey
IBWZRMVEDNCJMF-UHFFFAOYSA-N- Molecular formula
- C12H15IO2
- Average molar mass
- 318.15 g/mol
- Monoisotopic mass
- 318.01167772
Names & identifiers
- Preferred name
- 2-(3-Iodopropyl)-2-phenyl-1,3-dioxolane
- IUPAC
- 2-(3-iodopropyl)-2-phenyl-1,3-dioxolane
Names & synonyms
2-(3-iodopropyl)-2-phenyl-1,3-dioxolane70969-99-2SCHEMBL6157445DTXSID20548792IBWZRMVEDNCJMF-UHFFFAOYSA-N
Database identifiers
- CAS
70969-99-2- PubChem CID
- 13764130
- DTXSID
DTXSID20548792
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Related reactions
3 records
Compound notes
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