Dimethyl 1,3,6,8-tetramethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
Basic information
- CAS
27663-97-4- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2(C)NC1(C)c1c(C)ccc(C)c12- InChIKey
YWXDPGKWWJXOIC-UHFFFAOYSA-N- Molecular formula
- C18H21NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.14705815
Names & identifiers
- Preferred name
- Dimethyl 1,3,6,8-tetramethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
- IUPAC
- dimethyl 1,3,6,8-tetramethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate
Names & synonyms
NSC25400527663-97-4DTXSID20330412NSC-254005Dimethyl 1,4,5,8-tetramethyl-1,4-dihydro-1,4-epiminonaphthalene-2,3-dicarboxylate
Database identifiers
- CAS
27663-97-4- PubChem CID
- 429345
- DTXSID
DTXSID20330412
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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