1-(3-Nitrophenoxy)-2-propanone
Basic information
- CAS
18621-37-9- Standard SMILES
CC(=O)COc1cccc([N+](=O)[O-])c1- InChIKey
DTQBLCRAUDNUEP-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Names & identifiers
- Preferred name
- 1-(3-Nitrophenoxy)-2-propanone
- IUPAC
- 1-(3-nitrophenoxy)propan-2-one
- English name
- 1-(3-Nitrophenoxy)-2-propanone
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
18621-37-91-(3-NITROPHENOXY)-2-PROPANONEDTXSID10309374RefChem:224563DTXCID402605001-(3-nitrophenoxy)propan-2-oneNSC211860SCHEMBL10753064AKOS008908897AB26146NSC-2118602-Propanone, 1-(3-nitrophenoxy)-
Database identifiers
- CAS
18621-37-9- PubChem CID
- 309560
- DTXSID
DTXSID10309374- Nikkaji
- J1.998.853H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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