4H-1-Benzopyran-4-one, 5,7-dimethyl-2-(1H-tetrazol-5-yl)-
Basic information
- CAS
33544-06-8- Standard SMILES
Cc1cc(C)c2c(=O)cc(-c3nn[nH]n3)oc2c1- InChIKey
FBHJCKIOSMTRGB-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.08037557
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 5,7-dimethyl-2-(1H-tetrazol-5-yl)-
- IUPAC
- 5,7-dimethyl-2-(2H-tetrazol-5-yl)chromen-4-one
Names & synonyms
33544-06-84H-1-Benzopyran-4-one, 5,7-dimethyl-2-(1H-tetrazol-5-yl)-RefChem:1071847BRN 08129985,7-Dimethyl-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-oneDTXSID709551745,7-Dimethyl-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one
Database identifiers
- CAS
33544-06-8- PubChem CID
- 214631
- DTXSID
DTXSID70955174
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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