Basic information
- CAS
26351-48-4- Standard SMILES
COC1(C#N)C(=O)c2ccccc2C1=O- InChIKey
GFIAVVXPNFXMIT-UHFFFAOYSA-N- Molecular formula
- C11H7NO3
- Average molar mass
- 201.18 g/mol
- Monoisotopic mass
- 201.04259309
Names & identifiers
- Preferred name
- 2-Methoxy-1,3-dioxoindene-2-carbonitrile
- IUPAC
- 2-methoxy-1,3-dioxoindene-2-carbonitrile
Names & synonyms
26351-48-42-methoxy-1,3-dioxoindene-2-carbonitrileNSC240467DTXSID00311209NSC-2404672-Methoxy-1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile
Database identifiers
- CAS
26351-48-4- PubChem CID
- 315344
- DTXSID
DTXSID00311209
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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