7-Methoxy-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Basic information
- CAS
33544-15-9- Standard SMILES
COc1ccc2c(=O)cc(-c3nn[nH]n3)oc2c1- InChIKey
UMTVSAMWMQVVMN-UHFFFAOYSA-N- Molecular formula
- C11H8N4O3
- Average molar mass
- 244.21 g/mol
- Monoisotopic mass
- 244.05964013
Names & identifiers
- Preferred name
- 7-Methoxy-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
- IUPAC
- 7-methoxy-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33544-15-9DTXSID309551757-Methoxy-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-oneRefChem:1074462DTXCID901383177BRN 08124257-Methoxy-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-methoxy-2-(1H-tetrazol-5-yl)-
Database identifiers
- CAS
33544-15-9- PubChem CID
- 214639
- DTXSID
DTXSID30955175
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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