CID 160699
Basic information
- CAS
3560-71-2- Standard SMILES
COC1=CC(=O)c2c(O)c(OC)c(OC)c(O)c2C1=O- InChIKey
FNWLMRVSPWHCBU-UHFFFAOYSA-N- Molecular formula
- C13H12O7
- Average molar mass
- 280.23 g/mol
- Monoisotopic mass
- 280.05830272
Overview
CID 160699 has been reported in Tritonia with data available.
Names & identifiers
- Preferred name
- CID 160699
- IUPAC
- 5,8-dihydroxy-2,6,7-trimethoxynaphthalene-1,4-dione
Names & synonyms
CHEMBL477533
Database identifiers
- CAS
3560-71-2- PubChem CID
- 160699
- DTXSID
DTXSID60956978- ChEMBL
CHEMBL477533
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…