5-Hydroxy-4-nitroguaiacol
Basic information
- CAS
100960-04-1- Standard SMILES
COc1cc([N+](=O)[O-])c(O)cc1O- InChIKey
KSBZGMNJFIKZGT-UHFFFAOYSA-N- Molecular formula
- C7H7NO5
- Average molar mass
- 185.13 g/mol
- Monoisotopic mass
- 185.03242232
Names & identifiers
- Preferred name
- 5-Hydroxy-4-nitroguaiacol
- IUPAC
- 4-methoxy-6-nitrobenzene-1,3-diol
Names & synonyms
5-Hydroxy-4-nitroguaiacol4-methoxy-6-nitrobenzene-1,3-diolNSC139628SCHEMBL13557413KSBZGMNJFIKZGT-UHFFFAOYSA-NDTXSID8012991054-Methoxy-6-nitro-1,3-benzenediolNSC-1396284-Methoxy-6-nitro-1,3-benzenediol #100960-04-1
Database identifiers
- CAS
100960-04-1- PubChem CID
- 284041
- DTXSID
DTXSID801299105
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
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Related reactions
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Compound notes
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