Basic information
- CAS
77422-62-9- Standard SMILES
CC(=O)C1CCc2c(O)c3c(c(O)c2C1)C(=O)c1ccccc1C3=O- InChIKey
HIIVCLZCYLLSFS-UHFFFAOYSA-N- Molecular formula
- C20H16O5
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.09977361
Names & identifiers
- Preferred name
- 8-Acetyl-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
- IUPAC
- 8-acetyl-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Names & synonyms
8-acetyl-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione67122-26-377422-62-99-Acetyl-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedione8-Acetyl-7,8,9,10-tetrahydro-6,11-dihydroxy-5,12-naphthacenedioneNSC164869SCHEMBL497017AKOS024341723NSC-1648698-acetyl-6,11-dihydroxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione
Database identifiers
- CAS
77422-62-9- PubChem CID
- 424403
- EC Number
- 148-469-1
- Nikkaji
- J2.058.982E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 599
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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