2h-1-benzopyran-2-one, 8-butoxy-3-(1h-tetrazol-5-yl)-, sodium salt
Basic information
- CAS
76239-51-5- Standard SMILES
CCCCOc1cccc2cc(-c3nnn[n-]3)c(=O)oc12.[Na+]- InChIKey
KNGQRVPNAQLNDU-UHFFFAOYSA-N- Molecular formula
- C14H13N4NaO3
- Average molar mass
- 308.27 g/mol
- Monoisotopic mass
- 308.08853457
Names & identifiers
- Preferred name
- 2h-1-benzopyran-2-one, 8-butoxy-3-(1h-tetrazol-5-yl)-, sodium salt
- IUPAC
- sodium 8-butoxy-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-2-one
- English name
- 2H-1-Benzopyran-2-one, 8-butoxy-3-(1H-tetrazol-5-yl)-, sodium salt
- Molecular formula
- C14H13N4NaO3
- Molecular weight
- 0
Names & synonyms
76239-51-52H-1-Benzopyran-2-one, 8-butoxy-3-(1H-tetrazol-5-yl)-, sodium salt8-n-Butoxy-3-(1H-tetrazol-5-yl)coumarin sodium saltDTXSID702271018-Butoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one sodium saltRefChem:268286DTXCID30149592Sodium 5-(8-butoxy-2-oxo-2H-chromen-3-yl)tetrazol-1-ideSodium 5-(8-butoxy-2-oxo-2H-1-benzopyran-3-yl)tetrazol-1-ide8-butoxy-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-2-one
Database identifiers
- CAS
76239-51-5- PubChem CID
- 12899752
- DTXSID
DTXSID70227101
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…