Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
Basic information
- CAS
87974-55-8- Standard SMILES
CC(=NO)c1cccc([N+](=O)[O-])c1- InChIKey
PDRKZXUNOXCETR-UHFFFAOYSA-N- Molecular formula
- C8H8N2O3
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.05349212
Names & identifiers
- Preferred name
- Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-
- IUPAC
- N-[1-(3-nitrophenyl)ethylidene]hydroxylamine
Names & synonyms
Ethanone, 1-(3-nitrophenyl)-, oxime, (E)-DTXSID8032332087974-55-8RefChem:341145DTXCID302744391-(3-Nitrophenyl)-1-ethanone oxime(E)-1-(3-Nitrophenyl)ethanone oximem-nitroacetophenone oximeN-[1-(3-nitrophenyl)ethylidene]hydroxylamineSCHEMBL5484238PDRKZXUNOXCETR-UHFFFAOYSA-N
Database identifiers
- CAS
87974-55-8- PubChem CID
- 345797
- DTXSID
DTXSID80323320
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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