Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate
Basic information
- CAS
64686-58-4- Standard SMILES
COC(=O)C1(C(=O)OC)N=C(C)OO1- InChIKey
XDLQAFSBDCTLJO-UHFFFAOYSA-N- Molecular formula
- C7H9NO6
- Average molar mass
- 203.15 g/mol
- Monoisotopic mass
- 203.04298701
Names & identifiers
- Preferred name
- Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylate
- IUPAC
- dimethyl 5-methyl-1,2,4-dioxazole-3,3-dicarboxylate
Names & synonyms
64686-58-4NSC303577Dimethyl 5-methyl-3H-1,2,4-dioxazole-3,3-dicarboxylateDTXSID10316447NSC-303577DS-0141983H-1,4-Dioxazole-3,3-dicarboxylic acid, 5-methyl-, dimethyl ester3H-1,2,4-DIOXAZOLE-3,3-DICARBOXYLICACID, 5-METHYL-, 3,3-DIMETHYL ESTER
Database identifiers
- CAS
64686-58-4- PubChem CID
- 327650
- DTXSID
DTXSID10316447
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
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Related reactions
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Compound notes
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