Basic information
- Standard SMILES
COC(=O)c1cc(C(=O)OC)cc(N2CCOCC2)c1- InChIKey
PAWZYNJYMYISET-UHFFFAOYSA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
Names & identifiers
- Preferred name
- Dimethyl 5-morpholinoisophthalate
- IUPAC
- dimethyl 5-morpholin-4-ylbenzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL475555dimethyl 5-morpholinoisophthalatePAWZYNJYMYISET-UHFFFAOYSA-NDB-1323791,3-Dimethyl 5-(4-morpholinyl)-1,3-benzenedicarboxylate1221264-11-4
Database identifiers
- PubChem CID
- 57496003
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
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