4H-1-Benzopyran-4-one, 6-methyl-2-(1H-tetrazol-5-yl)-
Basic information
- CAS
33543-94-1- Standard SMILES
Cc1ccc2oc(-c3nn[nH]n3)cc(=O)c2c1- InChIKey
BEOKBEMARSHQIW-UHFFFAOYSA-N- Molecular formula
- C11H8N4O2
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.06472551
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-methyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 6-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33543-94-1BRN 08041234H-1-Benzopyran-4-one, 6-methyl-2-(1H-tetrazol-5-yl)-6-Methyl-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID80187207RefChem:297353DTXCID501096986-Methyl-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33543-94-1- PubChem CID
- 214619
- DTXSID
DTXSID80187207
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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