Basic information
- CAS
92057-56-2- Standard SMILES
O=C(O)C1COCOC1c1ccccc1- InChIKey
QGAFNKUBBZILNP-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 4-Phenyl-1,3-dioxane-5-carboxylic acid
- IUPAC
- 4-phenyl-1,3-dioxane-5-carboxylic acid
Names & synonyms
4-phenyl-1,3-dioxane-5-carboxylic acid92057-56-2NSC280732DTXSID70314121NSC-280732DS-005492
Database identifiers
- CAS
92057-56-2- PubChem CID
- 322649
- DTXSID
DTXSID70314121
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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