Basic information
- CAS
33544-12-6- Standard SMILES
COc1cccc2oc(-c3nn[nH]n3)cc(=O)c12- InChIKey
FUTRGIVXNVZCQY-UHFFFAOYSA-N- Molecular formula
- C11H8N4O3
- Average molar mass
- 244.21 g/mol
- Monoisotopic mass
- 244.05964013
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 5-methoxy-2-(1H-tetrazol-5-yl)-
- IUPAC
- 5-methoxy-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33544-12-6BRN 08188874H-1-Benzopyran-4-one, 5-methoxy-2-(1H-tetrazol-5-yl)-5-Methoxy-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID80187222RefChem:297320DTXCID90109713SCHEMBL69529345-Methoxy-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33544-12-6- PubChem CID
- 214636
- DTXSID
DTXSID80187222
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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