Cas no 3122-39-2 (Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy-)
![Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy- structure](https://ossimg.kuujia.com/scimg/3500/3122-39-2x500.png)
3122-39-2 structure
Product Name:Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy-
CAS No:3122-39-2
MF:C15H12N2O2
MW:252.267983436584
CID:311325
PubChem ID:346838
Update Time:2025-04-19
Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy-
- 2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)-2-(4-methoxyphenyl)acetonitrile
- 2-[4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
- AC1L85WG
- HMS2803M10
- HMS562K11
- Maybridge1_007447
- NSC405166
- p-Methoxyphenylcyanomethylenchinon-oxim
- p-Methoxyphenylcyanomethylen-p-benzochinon-oxim
- DTXSID70323915
- MLS000861804
- CDNLWJKHJRCMDV-UHFFFAOYSA-N
- CHEMBL1367860
- SMR000460588
- (4-Hydroxyimino-cyclohexa-2,5-dienylidene)-(4-methoxyphenyl)-acetonitrile
- SCHEMBL7705863
- CHEMBL4557673
- CCG-256483
- 3122-39-2
- Cyto9E5
- NSC-405166
-
- Inchi： 1S/C15H12N2O2/c1-19-14-8-4-12(5-9-14)15(10-16)11-2-6-13(17-18)7-3-11/h2-9,18H,1H3/b15-11-,17-13+
- InChI Key： CDNLWJKHJRCMDV-XRLAMUGLSA-N
- SMILES： O(C)C1C=CC(=CC=1)C(C#N)=C1C=CC(C=C1)=NO |c:11,t:18|
Computed Properties
- Exact Mass: 252.08996
- Monoisotopic Mass: 252.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 480
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 65.6?2
Experimental Properties
- Density: 1.13
- Boiling Point: 454.7°Cat760mmHg
- Flash Point: 228.8°C
- Refractive Index: 1.578
- PSA: 65.61
- LogP: 2.92858
Benzeneacetonitrile, a-[4-(hydroxyimino)-2,5-cyclohexadien-1-ylidene]-4-methoxy- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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