2-{[10-(Ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy}acetic acid
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Basic information
- CAS
478067-95-7- Standard SMILES
CCOC(=O)c1c2ccc(OCC(=O)O)cc2n2ccccc12- InChIKey
DKPOZROBQZDELO-UHFFFAOYSA-N- Molecular formula
- C17H15NO5
- Average molar mass
- 313.3 g/mol
Names & identifiers
- Preferred name
- 2-{[10-(Ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy}acetic acid
- IUPAC
- 2-(10-ethoxycarbonylpyrido[1,2-a]indol-3-yl)oxyacetic acid
- English name
- 2-([10-(Ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy)acetic acid
- Molecular formula
- C17H15NO5
- Molecular weight
- 313.3
Names & synonyms
478067-95-72-{[10-(ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy}acetic acid2-(10-ethoxycarbonylpyrido[1,2-a]indol-3-yl)oxyacetic acidMFCD01814949Oprea1_086530SCHEMBL366986AKOS0051016247N-8182-{[10-(ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy}aceticacid2-([10-(Ethoxycarbonyl)pyrido[1,2-a]indol-3-yl]oxy)acetic acidPyrido[1,2-a]indole-10-carboxylic acid, 3-(carboxymethoxy)-, 10-ethyl ester
Database identifiers
- CAS
478067-95-7
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 380.4 · 380.4±40.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 3.17 · 3.17±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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