4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-5-yl)-
Basic information
- CAS
131924-46-4- Standard SMILES
Cc1ccc2oc(-c3cnnn3C)cc(=O)c2c1- InChIKey
BJLWOCFBCMJQLX-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-5-yl)-
- IUPAC
- 6-methyl-2-(3-methyltriazol-4-yl)chromen-4-one
Names & synonyms
BRN 41943774H-1-Benzopyran-4-one, 6-methyl-2-(1-methyl-1H-1,2,3-triazol-5-yl)-6-Methyl-2-(1-methyl-1H-1,2,3-triazol-5-yl)-4H-1-benzopyran-4-one131924-46-4DTXSID90157259RefChem:297352DTXCID6079750
Database identifiers
- CAS
131924-46-4- PubChem CID
- 3076545
- DTXSID
DTXSID90157259
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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