Basic information
- CAS
569329-67-5- Standard SMILES
O=C(O)CSc1ccc2c(c1)C(=O)c1ccccc1C2=O- InChIKey
ACDFMYSJMLPYAU-UHFFFAOYSA-N- Molecular formula
- C16H10O4S
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.02997997
Names & identifiers
- Preferred name
- Acetic acid, [(9,10-dihydro-9,10-dioxo-2-anthracenyl)thio]-
- IUPAC
- 2-(9,10-dioxoanthracen-2-yl)sulfanylacetic acid
Names & synonyms
Acetic acid, [(9,10-dihydro-9,10-dioxo-2-anthracenyl)thio]-569329-67-5SCHEMBL7126007DTXSID70469746[(9,10-Dioxo-9,10-dihydroanthracen-2-yl)sulfanyl]acetic acid
Database identifiers
- CAS
569329-67-5- PubChem CID
- 11630782
- DTXSID
DTXSID70469746
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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