Basic information
- Standard SMILES
CC1(C)OC(=O)C(=Cc2ccc(O)cc2)C(=O)O1- InChIKey
JPPNMIXVIYOENU-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Names & synonyms
17474-27-05-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneIsopropylidene p-hydroxybenzylidene malonateMalonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene esterMFCD001285505-[(4-hydroxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC643768SCHEMBL435198CHEMBL12140315-(4-Hydroxy-benzylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione5-[4-hydroxybenzylidene]-2,2-dimethyl-4,6-dioxo-1,3-dioxane
Show more names
AKOS016670660NSC-643768AS-72109NCI60_014825DB-332810W182355-(4-hydroxy-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-(4-hydroxybenzylidene)-2,2-dimethyl-[1, 3]dioxane-4,6-dione
Database identifiers
- PubChem CID
- 370541
- ChEMBL
CHEMBL1214031- Nikkaji
- J144.937K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Related reactions
23 records
Compound notes
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