Basic information
- CAS
26592-92-7- Standard SMILES
CCOC(=O)C(C#N)C1c2ccccc2Oc2ccccc21- InChIKey
LRZYRLIZVIYBMS-UHFFFAOYSA-N- Molecular formula
- C18H15NO3
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.10519334
Names & identifiers
- Preferred name
- ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
- IUPAC
- ethyl 2-cyano-2-(9H-xanthen-9-yl)acetate
Names & synonyms
26592-92-7ethyl cyano(9h-xanthen-9-yl)acetateethyl 2-cyano-2-(9H-xanthen-9-yl)acetateNSC95953DTXSID30294354NSC-95953
Database identifiers
- CAS
26592-92-7- PubChem CID
- 262452
- DTXSID
DTXSID30294354
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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