Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)-
Basic information
- CAS
111451-17-3- Standard SMILES
O=C(O)CC(OC(C(=O)O)C(OC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O- InChIKey
LQHFQYDCTTYMQM-UHFFFAOYSA-N- Molecular formula
- C12H14O14
- Average molar mass
- 382.23 g/mol
- Monoisotopic mass
- 382.03835512
Names & identifiers
- Preferred name
- Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)-
- IUPAC
- 2,3-bis(1,2-dicarboxyethoxy)butanedioic acid
- English name
- 3,6-Dioxaoctane-1,2,4,5,7,8-hexacarboxylic acid
- Molecular formula
- C12H14O14
- Molecular weight
- 382.23
Names & synonyms
Butanedioic acid, 2,3-bis(1,2-dicarboxyethoxy)-111451-17-3DTXSID40276222RefChem:330574DTXCID00227553SCHEMBL93495033,6-dioxaoc-tane-1,2,4,5,7,8-hexacarboxylic acid2,2'-[(1,2-Dicarboxyethane-1,2-diyl)bis(oxy)]dibutanedioic acid3,6-Dioxaoctane-1,2,4,5,7,8-hexacarboxylic acid
Database identifiers
- CAS
111451-17-3- PubChem CID
- 119581
- DTXSID
DTXSID40276222- Nikkaji
- J248.092A
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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