Basic information
- CAS
106648-24-2- Standard SMILES
COc1cc2c(cc1OC)C(=O)C(C#N)C2- InChIKey
CAPLSGGIIBXDGD-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- 2-Cyano-5,6-dimethoxy-indan-1-one
- IUPAC
- 5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carbonitrile
- English name
- 2,3-DIHYDRO-5,6-DIMETHOXY-1-OXO-1H-INDENE-2-CARBONITRILE
- Molecular formula
- C12H11NO3
- Molecular weight
- 0
Names & synonyms
106648-24-22-Cyano-5,6-dimethoxy-indan-1-one5,6-dimethoxy-3-oxo-1,2-dihydroindene-2-carbonitrileSCHEMBL10709419DTXSID40603150CAPLSGGIIBXDGD-UHFFFAOYSA-N2,3-DIHYDRO-5,6-DIMETHOXY-1-OXO-1H-INDENE-2-CARBONITRILE5,6-Dimethoxy-1-oxo-2,3-dihydro-1H-indene-2-carbonitrile
Database identifiers
- CAS
106648-24-2- PubChem CID
- 20161186
- DTXSID
DTXSID40603150
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Compound notes
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