3-(6-Methoxy-2,2-dimethyltetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)-2H-1-benzopyran-2-one
Basic information
- CAS
59578-31-3- Standard SMILES
COC1C(c2cc3ccccc3oc2=O)OC2OC(C)(C)OC21- InChIKey
IPLYCMIWGXTMIH-UHFFFAOYSA-N- Molecular formula
- C17H18O6
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.11033829
Names & identifiers
- Preferred name
- 3-(6-Methoxy-2,2-dimethyltetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)-2H-1-benzopyran-2-one
- IUPAC
- 3-(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)chromen-2-one
Names & synonyms
59578-31-3NSC295766DTXSID60315662NSC-2957663-(6-Methoxy-2,2-dimethyltetrahydro-2H-furo[2,3-d][1,3]dioxol-5-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
59578-31-3- PubChem CID
- 326070
- DTXSID
DTXSID60315662
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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