Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
Basic information
- CAS
86785-57-1- Standard SMILES
COC(=O)N1N=C(c2ccccc2)C(C(=O)OC)(C(=O)OC)c2ccccc21- InChIKey
GAJFKPIHALQLEH-UHFFFAOYSA-N- Molecular formula
- C20H18N2O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.1164863
Names & identifiers
- Preferred name
- Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
- IUPAC
- trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
Names & synonyms
NSC382341trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate86785-57-1DTXSID80321861NSC-382341
Database identifiers
- CAS
86785-57-1- PubChem CID
- 343231
- DTXSID
DTXSID80321861
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 639
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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