Basic information
- CAS
109897-79-2- Standard SMILES
O=[N+]([O-])c1ccc2cc3c(cc2c1)C=C[C@@H](O)[C@@H]3O- InChIKey
QORAFNWCWBHYSS-ZIAGYGMSSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 2-Nitroanthracene trans-5,6-dihydrodiol
- IUPAC
- (1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol
Names & synonyms
CCRIS 21222-Nitroanthracene trans-5,6-dihydrodiol109897-79-2trans-5,6-Dihydroxy-2-nitro-5,6-dihydroanthracene3T8R88PC1D(1R,2R)-6-nitro-1,2-dihydroanthracene-1,2-diol1,2-Anthracenediol, 1,2-dihydro-6-nitro-, trans-1,2-Anthracenediol, 1,2-dihydro-6-nitro-, (1-beta,2-alpha)-1,2-Dihydro-6-nitro-1,2-anthracenediol, trans-(1-beta,2-alpha)-1,2-Dihydro-6-nitro-1,2-anthracenediolUNII-3T8R88PC1D1,2-Anthracenediol, 1,2-dihydro-6-nitro-, trans- (9CI)
Show more names
DTXSID301490722-NITROANTHRACENE-5,6-DIHYDRODIOL, TRANS-(1R,2R)-6-NITRO-1,2-DIHYDRO-1,2-ANTHRACENEDIOL2-NITROANTHRACENE-5,6-DIHYDRODIOL, TRANS-(+/-)-1,2-ANTHRACENEDIOL, 1,2-DIHYDRO-6-NITRO-, (1R,2R)-REL-(1-.BETA.,2-.ALPHA.)-1,2-DIHYDRO-6-NITRO-1,2-ANTHRACENEDIOL
Database identifiers
- CAS
109897-79-2- PubChem CID
- 3035367
- DTXSID
DTXSID30149072- UNII
- 3T8R88PC1D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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