2,2-Dimethyl-5-(2-phenylhydrazinylidene)-1,3-dioxane-4,6-dione
Basic information
- CAS
75307-67-4- Standard SMILES
CC1(C)OC(=O)C(=NNc2ccccc2)C(=O)O1- InChIKey
JSNXCUKEWKLJLX-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(2-phenylhydrazinylidene)-1,3-dioxane-4,6-dione
- IUPAC
- 2,2-dimethyl-5-(phenylhydrazinylidene)-1,3-dioxane-4,6-dione
Names & synonyms
75307-67-42,2-dimethyl-5-(2-phenylhydrazinylidene)-1,3-dioxane-4,6-dioneDTXSID90320380RefChem:243510DTXCID102715022,2-dimethyl-5-(phenylhydrazinylidene)-1,3-dioxane-4,6-dioneNSC358754MLS000554360CHEMBL1312168SCHEMBL10949672JSNXCUKEWKLJLX-UHFFFAOYSA-NSTK792573
Show more names
AKOS001733663NSC-358754SMR000146677AG-205/03200043SR-01000089157SR-01000089157-12,2-Dimethyl-1,3-dioxan-4,5,6-trion-5-phenylhydrazone2,2-Dimethyl-1,3-dioxane-4,5,6-trione 5-(phenylhydrazone)
Database identifiers
- CAS
75307-67-4- PubChem CID
- 338050
- DTXSID
DTXSID90320380- ChEMBL
CHEMBL1312168- Nikkaji
- J1.203.605A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
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Related reactions
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Compound notes
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