CID 299937
Basic information
- CAS
71388-60-8- Standard SMILES
CC(=O)OCC1=C(COC(C)=O)C2OC1C1OC(=O)OC21- InChIKey
XFKUNVIPZIPLFU-UHFFFAOYSA-N- Molecular formula
- C13H14O8
- Average molar mass
- 298.24 g/mol
- Monoisotopic mass
- 298.0688674
Names & identifiers
- Preferred name
- CID 299937
- IUPAC
- [9-(acetyloxymethyl)-4-oxo-3,5,10-trioxatricyclo[5.2.1.02,6]dec-8-en-8-yl]methyl acetate
Names & synonyms
NSC17393071424-94-771388-60-8NSC173929DTXSID40991726NSC-173929NSC-173930[acetoxymethyl(oxo)[?]yl]methyl acetate4,7-Epoxy-1,3-benzodioxol-2-one, 5,6-bis[(acetyloxy)methyl]-3a,4,7,7a-tetrahydro-(2-Oxo-3a,4,7,7a-tetrahydro-2H-4,7-epoxy-1,3-benzodioxole-5,6-diyl)bis(methylene) diacetate[9-(Acetyloxymethyl)-4-oxo-3,5,10-trioxatricyclo[5.2.1.02,6]dec-8-en-8-yl]methyl acetate
Database identifiers
- CAS
71388-60-8、71424-94-7- PubChem CID
- 299937
- DTXSID
DTXSID40991726
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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