Basic information
- CAS
60024-09-1- Standard SMILES
COc1ccccc1C1OCCC(C)O1- InChIKey
JIONPJZAVXCSGI-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(2-Methoxyphenyl)-4-methyl-1,3-dioxane
- IUPAC
- 2-(2-methoxyphenyl)-4-methyl-1,3-dioxane
Names & synonyms
60024-09-12-(2-methoxyphenyl)-4-methyl-1,3-dioxaneNSC45665DTXSID90975450NSC-45665
Database identifiers
- CAS
60024-09-1- PubChem CID
- 239885
- DTXSID
DTXSID90975450
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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