Basic information
- Standard SMILES
C1COCCO1.CC(=O)O- InChIKey
QMHVBFCNECLXNF-UHFFFAOYSA-N- Molecular formula
- C6H12O4
- Average molar mass
- 148.16 g/mol
- Monoisotopic mass
- 148.07355886
Names & identifiers
- Preferred name
- HOAc dioxane
- IUPAC
- acetic acid;1,4-dioxane
Names & synonyms
dioxane HOAcHOAc dioxanedioxan acetic acidacetic acid dioxanedioxane acetic acidacetic acid 1,4-dioxaneSCHEMBL575055QMHVBFCNECLXNF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22565020
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 57
Related reactions
17 records
Compound notes
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