Acetic acid;[4-(3,10-dihydroxyanthracen-9-yl)phenyl] acetate
Basic information
- CAS
57374-16-0- Standard SMILES
CC(=O)O.CC(=O)O.CC(=O)Oc1ccc(-c2c3ccccc3c(O)c3cc(O)ccc23)cc1- InChIKey
OCFYUHXQFPVONI-UHFFFAOYSA-N- Molecular formula
- C26H24O8
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.14711772
Names & identifiers
- Preferred name
- Acetic acid;[4-(3,10-dihydroxyanthracen-9-yl)phenyl] acetate
- IUPAC
- acetic acid;[4-(3,10-dihydroxyanthracen-9-yl)phenyl] acetate
Names & synonyms
57374-16-0DTXSID40852964Acetic acid--4-(3,10-dihydroxyanthracen-9-yl)phenyl acetate (2/1)
Database identifiers
- CAS
57374-16-0- PubChem CID
- 71444166
- DTXSID
DTXSID40852964
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 529
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Related reactions
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Compound notes
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