Cas no 4589-97-3 (Benzeneacetaldehyde, a-(hydroxyimino)-, oxime)
4589-97-3 structure
Product Name:Benzeneacetaldehyde, a-(hydroxyimino)-, oxime
CAS No:4589-97-3
MF:C8H8N2O2
MW:164.161321640015
CID:329357
PubChem ID:135413853
Update Time:2025-04-19
Benzeneacetaldehyde, a-(hydroxyimino)-, oxime Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetaldehyde, a-(hydroxyimino)-, oxime
- .α.-Phenyldioxime
- 2-(hydroxyimino)-2-phenylacetaldehyde oxime
- Glyoxal, phenyl-, dioxime
- Glyoxime, phenyl-
- Phenylglyoxime
- α-Phenyldioxime
- Benzeneacetaldehyde, .alpha.-(hydroxyimino)-, oxime
- AKOS002528191
- 4589-97-3
- (1E,2Z)-(Hydroxyimino)(phenyl)ethanal oxime #
- a-Phenylglyoxim
- .alpha.-Phenyldioxime
- MLXJSLOEWNSWKU-OAMUUVBCSA-N
- (hydroxyimino)(phenyl)acetaldehyde oxime
- N-[(Z)-2-nitroso-1-phenylethenyl]hydroxylamine
- NSC-152094
- (NZ)-N-[(2E)-2-hydroxyimino-1-phenylethylidene]hydroxylamine
- NSC152094
- ss-Phenyl-glyoxim
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- Inchi： 1S/C8H8N2O2/c11-9-6-8(10-12)7-4-2-1-3-5-7/h1-6,11-12H/b9-6+,10-8+
- InChI Key： MLXJSLOEWNSWKU-OAMUUVBCSA-N
- SMILES： O/N=C(\C=N\O)/C1C=CC=CC=1
Computed Properties
- Exact Mass: 164.05864
- Monoisotopic Mass: 164.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.7A^2
- XLogP3: 1.8
Experimental Properties
- Density: 1.2739 (rough estimate)
- Boiling Point: 291.62°C (rough estimate)
- Flash Point: 137.2°C
- Refractive Index: 1.6000 (estimate)
- PSA: 65.18
- LogP: 1.32490
Benzeneacetaldehyde, a-(hydroxyimino)-, oxime Related Literature
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3. Organic chemistry
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5. Detection of geometrical isomers by fractional sublimation in a mass spectrometerJ. R. Majer,R. Perry J. Chem. Soc. A 1970 822
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