Basic information
- CAS
57543-75-6- Standard SMILES
COc1ccc2c(c1)C=C(C#N)C(C)O2- InChIKey
UUSZDXMVPFHPTG-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile
- IUPAC
- 6-methoxy-2-methyl-2H-chromene-3-carbonitrile
- English name
- 6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
6-Methoxy-2-methyl-2H-1-benzopyran-3-carbonitrile57543-75-6BRN 13748092H-1-BENZOPYRAN-3-CARBONITRILE, 6-METHOXY-2-METHYL-DTXSID20973101DB-296589
Database identifiers
- CAS
57543-75-6- PubChem CID
- 42444
- DTXSID
DTXSID20973101- Nikkaji
- J132.065C
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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