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Basic information
- CAS
77955-21-6- Standard SMILES
COC(=O)c1ccc(CC2(C)OCCO2)cc1- InChIKey
ZHCLITPWGGECDO-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- Methyl 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]benzoate
- IUPAC
- methyl 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]benzoate
Names & synonyms
Methyl 4-[(2-methyl-1,3-dioxolan-2-yl)methyl]benzoate77955-21-6DTXSID80718131ZHCLITPWGGECDO-UHFFFAOYSA-N1-(4-Carbomethoxyphenyl)propan-2-one ethylene ketal
Database identifiers
- CAS
77955-21-6- PubChem CID
- 56629009
- DTXSID
DTXSID80718131
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
2 records
Compound notes
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