3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
Basic information
- CAS
34977-06-5- Standard SMILES
CCOC(=O)c1c(C(=O)OC)c(C(=O)OC)c2c3ccccc3ccn12- InChIKey
ZCIDZPAMBMSDQU-UHFFFAOYSA-N- Molecular formula
- C19H17NO6
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.10558726
Names & identifiers
- Preferred name
- 3-Ethyl 1,2-dimethyl pyrrolo(2,1-A)isoquinoline-1,2,3-tricarboxylate
- IUPAC
- 3-O-ethyl 1-O,2-O-dimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
- English name
- Pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylic acid, 3-ethyl 1,2-dimethyl ester
- Molecular formula
- C19H17NO6
- Molecular weight
- 355.34
Names & synonyms
AKOS0244089323-ETHYL 1,2-DIMETHYL PYRROLO(2,1-A)ISOQUINOLINE-1,2,3-TRICARBOXYLATEPyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylic acid, 3-ethyl 1,2-dimethyl ester
Database identifiers
- CAS
34977-06-5- PubChem CID
- 3577641
- EC Number
- 126-844-0
- Nikkaji
- J973.351E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Melting point
- 126 · 126-128 °C(Solv: methanol (67-56-1))
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
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Compound notes
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