Basic information
- CAS
58977-08-5- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCC(O)C3- InChIKey
NVFZNZASROGHQA-UHFFFAOYSA-N- Molecular formula
- C18H14O5
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.08412354
Names & identifiers
- Preferred name
- 6,8,11-Trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
- IUPAC
- 6,8,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Names & synonyms
58977-08-56,8,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dioneNSC246147SCHEMBL11291057SCHEMBL31745135DTXSID90311874NSC-246147
Database identifiers
- CAS
58977-08-5- PubChem CID
- 317023
- DTXSID
DTXSID90311874
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…