Basic information
- CAS
86674-91-1- Standard SMILES
COc1ccc(C2OCC(CCl)O2)cc1OC- InChIKey
IAXHXUHAQJAMQG-UHFFFAOYSA-N- Molecular formula
- C12H15ClO4
- Average molar mass
- 258.7 g/mol
- Monoisotopic mass
- 258.0658866
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane
- IUPAC
- 4-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolane
Names & synonyms
86674-91-14-(chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-dioxolaneNSC44725DTXSID90286316NSC-44725AKOS017561570
Database identifiers
- CAS
86674-91-1- PubChem CID
- 239557
- DTXSID
DTXSID90286316- Nikkaji
- J1.172.457D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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