4H-1-Benzopyran-4-one, 3-methyl-2-(1H-tetrazol-5-yl)-
Basic information
- CAS
33544-10-4- Standard SMILES
Cc1c(-c2nn[nH]n2)oc2ccccc2c1=O- InChIKey
ZKNBEVSECMLVAN-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, 3-methyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 3-methyl-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33544-10-4BRN 08041834H-1-Benzopyran-4-one, 3-methyl-2-(1H-tetrazol-5-yl)-3-Methyl-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID60187220RefChem:297310DTXCID701097113-Methyl-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33544-10-4- PubChem CID
- 214634
- DTXSID
DTXSID60187220
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 368
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Compound notes
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