Basic information
- CAS
69976-71-2- Standard SMILES
CC(=O)c1cccc(C)c1[N+](=O)[O-]- InChIKey
DUCHUNIEWUJFKM-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 1-(3-Methyl-2-nitrophenyl)ethanone
- IUPAC
- 1-(3-methyl-2-nitrophenyl)ethanone
- English name
- 1-(3-methyl-2-nitro-phenyl)ethanone
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
1-(3-Methyl-2-nitrophenyl)ethanone69976-71-21-(3-methyl-2-nitrophenyl)ethan-1-oneAcetophenone, 3-methyl-2-nitro-1-(3-methyl-2-nitro-phenyl)-ethanoneSCHEMBL2572950DUCHUNIEWUJFKM-UHFFFAOYSA-NDTXSID601298244MFCD001795801-(3-Methyl-2-nitrophenyl)ethanone #EN300-18404741-(3-methyl-2-nitro-phenyl)ethanone
Show more names
Ethanone, 1-(3-methyl-2-nitrophenyl)-
Database identifiers
- CAS
69976-71-2- PubChem CID
- 596221
- DTXSID
DTXSID601298244
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 301.8 · 301.8±22.0 °C(Predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
苏州亚衍医药科技有限公司17715136450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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