4H-1-Benzopyran-4-one, 6-methoxy-2-(2-methyl-1H-1,2,3-triazol-4-yl)-
Basic information
- CAS
131924-48-6- Standard SMILES
COc1ccc2oc(-c3cnn(C)n3)cc(=O)c2c1- InChIKey
QIIRKQVXCAYBNN-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-methyl-1H-1,2,3-triazol-4-yl)-
- IUPAC
- 6-methoxy-2-(2-methyltriazol-4-yl)chromen-4-one
Names & synonyms
BRN 41990434H-1-Benzopyran-4-one, 6-methoxy-2-(2-methyl-1H-1,2,3-triazol-4-yl)-131924-48-66-Methoxy-2-(2-methyl-1H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-oneDTXSID60157261RefChem:297346DTXCID60797526-Methoxy-2-(2-methyl-2H-1,2,3-triazol-4-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
131924-48-6- PubChem CID
- 3076547
- DTXSID
DTXSID60157261
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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