Nitromethane water
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Basic information
- Standard SMILES
C[N+](=O)[O-].O- InChIKey
PLLFCJIATCAPJG-UHFFFAOYSA-N- Molecular formula
- CH5NO3
- Average molar mass
- 79.056 g/mol
- Monoisotopic mass
- 79.02694302
Names & identifiers
- Preferred name
- Nitromethane water
- IUPAC
- nitromethane;hydrate
Names & synonyms
nitromethane waterCH3NO2 H2OSCHEMBL3888957SCHEMBL8204968SCHEMBL30712512PLLFCJIATCAPJG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22129409
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 27
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Related reactions
8 records
Compound notes
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