7-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile
Basic information
- CAS
59528-34-6- Standard SMILES
COc1ccc2c(c1)OC(C)C(C#N)=C2- InChIKey
YXIHLMRVNFJZGC-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 7-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile
- IUPAC
- 7-methoxy-2-methyl-2H-chromene-3-carbonitrile
- English name
- 7-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
7-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile59528-34-6BRN 13747012H-1-BENZOPYRAN-3-CARBONITRILE, 7-METHOXY-2-METHYL-DTXSID20974936
Database identifiers
- CAS
59528-34-6- PubChem CID
- 43037
- DTXSID
DTXSID20974936- Nikkaji
- J132.066A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
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Related reactions
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Compound notes
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