Basic information
- CAS
226249-78-1- Standard SMILES
O=C(O)c1cc(C(=O)O)cc(C2OCCO2)c1- InChIKey
MEIJCFIDHMWVEP-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 5-(1,3-Dioxolan-2-yl)benzene-1,3-dicarboxylic acid
- IUPAC
- 5-(1,3-dioxolan-2-yl)benzene-1,3-dicarboxylic acid
Names & synonyms
5-(1,3-dioxolan-2-yl)benzene-1,3-dicarboxylic acidDTXSID901229082226249-78-15-(1,3-Dioxolan-2-yl)-1,3-benzenedicarboxylic acid
Database identifiers
- CAS
226249-78-1- PubChem CID
- 15415313
- DTXSID
DTXSID901229082- Nikkaji
- J1.084.233F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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