Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester
Basic information
- CAS
7346-91-0- Standard SMILES
O=C(O)CCOC(=O)C1CCOC(C(Cl)(Cl)Cl)O1- InChIKey
IXJMZYQUAZSHBR-UHFFFAOYSA-N- Molecular formula
- C9H11Cl3O6
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 319.962121
Names & identifiers
- Preferred name
- Succinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester
- IUPAC
- 3-[2-(trichloromethyl)-1,3-dioxane-4-carbonyl]oxypropanoic acid
Names & synonyms
BRN 0029179SC-14337346-91-02-(Trichloromethyl)-1,3-dioxolane-4-carbinolacid succinate esterSuccinic acid, (2-(trichloromethyl)-1,3-dioxolan-4-yl)methyl ester4-19-00-00637 (Beilstein Handbook Reference)RefChem:382380DTXSID109942093-{[2-(Trichloromethyl)-1,3-dioxane-4-carbonyl]oxy}propanoic acid
Database identifiers
- CAS
7346-91-0- PubChem CID
- 110971
- DTXSID
DTXSID10994209
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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