2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol
Basic information
- CAS
109897-80-5- Standard SMILES
O=C1Cc2cc3cc([N+](=O)[O-])ccc3cc2[C@H](O)[C@H]1O- InChIKey
JADYKDUQDFUWCA-KBPBESRZSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol
- IUPAC
- (3R,4S)-3,4-dihydroxy-7-nitro-3,4-dihydro-1H-anthracen-2-one
Names & synonyms
2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-trans-5,6-diol109897-80-51EM9JL78LE2-Nitroanthracene 7-keto-5,6,7,8-tetrahydro-5,6-diol, trans-CCRIS 2124UNII-1EM9JL78LEDTXSID90149073(3R,4S)-3,4-dihydroxy-7-nitro-3,4-dihydro-1H-anthracen-2-oneQ27252329trans-2-nitroanthracene 7-keto-5,6,7,8-tetrahydro-5,6-diol(3R,4S)-3,4-Dihydroxy-7-nitro-3,4-dihydroanthracen-2(1H)-one2(1H)-Anthracenone, 3,4-dihydro-3,4-dihydroxy-7-nitro-, trans-
Show more names
(3R,4S)-3,4-DIHYDROXY-7-NITRO-3,4-DIHYDRO-2(1H)-ANTHRACENONE2-NITROANTHRACENE 7-KETO-5,6,7,8-TETRAHYDRO-5,6-DIOL, TRANS-(+/-)-
Database identifiers
- CAS
109897-80-5- PubChem CID
- 123014
- DTXSID
DTXSID90149073- UNII
- 1EM9JL78LE
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
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Compound notes
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