8,8-Dimethyl-4,5,6,8-tetrahydro-2H-1-benzopyran-2,7(3H)-dione
Basic information
- CAS
104390-32-1- Standard SMILES
CC1(C)C(=O)CCC2=C1OC(=O)CC2- InChIKey
WGBNUTOTXTUPJD-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 8,8-Dimethyl-4,5,6,8-tetrahydro-2H-1-benzopyran-2,7(3H)-dione
- IUPAC
- 8,8-dimethyl-3,4,5,6-tetrahydrochromene-2,7-dione
Names & synonyms
104390-32-1DTXSID705455548,8-Dimethyl-4,5,6,8-tetrahydro-2H-1-benzopyran-2,7(3H)-dione
Database identifiers
- CAS
104390-32-1- PubChem CID
- 13635937
- DTXSID
DTXSID70545554
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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