2-Methoxy-5-(2-nitroethyl)phenol
Basic information
- CAS
322474-09-9- Standard SMILES
COc1ccc(CC[N+](=O)[O-])cc1O- InChIKey
ITIMUCQQHDXMIW-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- 2-Methoxy-5-(2-nitroethyl)phenol
- IUPAC
- 2-methoxy-5-(2-nitroethyl)phenol
- English name
- 2-methoxy-5-(2-nitroethyl)phenol
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
2-methoxy-5-(2-nitroethyl)phenol322474-09-95-{2-nitroethyl}-2-methoxyphenolSCHEMBL29031938DTXSID20356197SBB092139AKOS006280105FH67363DB-293240EN300-1847641AO-800/410697171-(3-HYDROXY-4-METHOXYPHENYL)-2-NITROETHANE
Show more names
Phenol, 2-methoxy-5-(2-nitroethyl)-
Database identifiers
- CAS
322474-09-9- PubChem CID
- 820358
- DTXSID
DTXSID20356197
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 368.2 · 368.2±32.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 8.09 · 8.09±0.10(Predicted)
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Related reactions
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Compound notes
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