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Basic information
- Standard SMILES
COc1cc(C#CCO)ccc1[N+](=O)[O-]- InChIKey
BNYSLEDJOFTARK-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
- Monoisotopic mass
- 207.05315777
Names & identifiers
- Preferred name
- 3-[3-(Methyloxy)-4-nitrophenyl]-2-propyn-1-ol
- IUPAC
- 3-(3-methoxy-4-nitrophenyl)prop-2-yn-1-ol
Names & synonyms
SCHEMBL310853BNYSLEDJOFTARK-UHFFFAOYSA-N3-[3-(methyloxy)-4-nitrophenyl]-2-propyn-1-ol
Database identifiers
- PubChem CID
- 59452575
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
4 records
Compound notes
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