Basic information
- CAS
67210-66-6- Standard SMILES
CC[NH+](CC)c1ccc2c(C)cc(=O)oc2c1.O=S(=O)([O-])O- InChIKey
GDWRXKBWBVIFLI-UHFFFAOYSA-N- Molecular formula
- C14H19NO6S
- Average molar mass
- 329.37 g/mol
- Monoisotopic mass
- 329.0933085
Overview
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Names & identifiers
- Preferred name
- (Diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl))ammonium hydrogen sulphate
- IUPAC
- diethyl-(4-methyl-2-oxochromen-7-yl)azanium;hydrogen sulfate
Names & synonyms
(Diethyl(4-methyl-2-oxo-2H-benzopyran-7-yl))ammonium hydrogen sulphate
Database identifiers
- CAS
67210-66-6- PubChem CID
- 49592
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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