4H-1-Benzopyran-4-one, 7-methyl-2-(1H-tetrazol-5-yl)-
Basic information
- CAS
33543-98-5- Standard SMILES
Cc1ccc2c(=O)cc(-c3nn[nH]n3)oc2c1- InChIKey
SKMRAKVMLHQHQT-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, 7-methyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 7-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33543-98-54H-1-Benzopyran-4-one, 7-methyl-2-(1H-tetrazol-5-yl)-RefChem:1071856BRN 08042207-Methyl-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID109551737-Methyl-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33543-98-5- PubChem CID
- 214623
- DTXSID
DTXSID10955173
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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