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Molecule
2,3-Butanedione Monoxime
CAS: 57-71-6 · C4H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 57-71-6
- Molecular Formula
- C4H7NO2
- Molecular Mass
- 101.10 g/mol
Identifiers
CAS Registry Number
57-71-6
SMILES
CC(=O)C(C)=NO
InChI Key
FSEUPUDHEBLWJY-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3
Names and Synonyms
- 2,3-Butanedione Monoxime Synonym
- 2,3-Butanedione, 2-oxime Synonym
- 2,3-Butanedione, monooxime Synonym
- 2,3-Butanedione oxime Synonym
- Diacetyl monoxime Synonym
- 2-Oximino-3-butanone Synonym
- DAM (oxime) Synonym
- Biacetyl monoxime Synonym
- 3-Oximino-2-butanone Synonym
- Diacetyl monooxime Synonym
- 2,3-Butanedione monoxime Synonym
- Biacetyl monooxime Synonym
- 2,3-Butanedione-2-monoxime Synonym
- 2,3-Butanedione 3-monoxime Synonym
- RA 53 Synonym
- DAM Synonym
- 2-Hydroxyimino-3-butanone Synonym
- Isonitrosoethyl methyl ketone Synonym
- 3-Oxo-2-butanone oxime Synonym
- 2,3-Butadione monooxime Synonym
- NSC 116103 Synonym
- NSC 660 Synonym
- 3-(Hydroxyimino)-2-butanone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.10 g/mol | CAS Common Chemistry |
| 101.10499999999999 g/mol | RDKit | |
| 101.105 g/mol | RDKit | |
| Boiling Point | 185.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C(=NO)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FSEUPUDHEBLWJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76.8 °C | CAS Common Chemistry |
| Name | 2,3-Butanedione monoxime | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.66 Ų | RDKit |
| LogP | 0.42550000000000004 | RDKit |
| 0.4255 | RDKit | |
| Molar Refractivity | 25.576499999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 101.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 101.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7NO2.
