Basic information
- CAS
20253-56-9- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(N3CCCC3)cc(O)c21- InChIKey
XITVJVOUZXZYIV-UHFFFAOYSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- 1,4-Dihydroxy-2-(pyrrolidin-1-yl)anthracene-9,10-dione
- IUPAC
- 1,4-dihydroxy-2-pyrrolidin-1-ylanthracene-9,10-dione
Names & synonyms
20253-56-91,4-Dihydroxy-2-(pyrrolidin-1-yl)anthracene-9,10-dioneDTXSID70560060
Database identifiers
- CAS
20253-56-9- PubChem CID
- 14419219
- DTXSID
DTXSID70560060
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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