Basic information
- Standard SMILES
O=C1C2=C(CCCC2)C(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
RGVTVQXYIXHBOP-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 6-Nitrotetrahydroanthraquinone
- IUPAC
- 6-nitro-1,2,3,4-tetrahydroanthracene-9,10-dione
Names & synonyms
6-nitrotetrahydroanthraquinoneSCHEMBL11228676RGVTVQXYIXHBOP-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20535646
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
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