4H-1-Benzopyran-2-carbonitrile, 5,7-dimethyl-4-oxo-
Basic information
- CAS
33544-05-7- Standard SMILES
Cc1cc(C)c2c(=O)cc(C#N)oc2c1- InChIKey
ANHIBHUMQOZDDS-UHFFFAOYSA-N- Molecular formula
- C12H9NO2
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.06332853
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-2-carbonitrile, 5,7-dimethyl-4-oxo-
- IUPAC
- 5,7-dimethyl-4-oxochromene-2-carbonitrile
Names & synonyms
4H-1-Benzopyran-2-carbonitrile, 5,7-dimethyl-4-oxo-BRN 142800333544-05-75,7-Dimethyl-4-oxo-4H-1-benzopyran-2-carbonitrileDTXSID301872175-18-08-00350 (Beilstein Handbook Reference)RefChem:297152DTXCID401097085,7-dimethyl-4-oxo-4h-chromene-2-carbonitrile5464-53-9
Database identifiers
- CAS
33544-05-7- PubChem CID
- 214630
- DTXSID
DTXSID30187217
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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