Cas no 728-65-4 (Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-)
![Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]- structure](https://ossimg.kuujia.com/scimg/1000/728-65-4x500.png)
728-65-4 structure
Product Name:Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-
CAS No:728-65-4
MF:C15H12N2O
MW:236.268583297729
CID:579660
PubChem ID:5995476
Update Time:2025-04-19
Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]-
- (2Z)-2-[(4Z)-4-hydroxyimino-3-methylcyclohexa-2,5-dien-1-ylidene]-2-phenylacetonitrile
- (4-Hydroxyimino-3-methyl-cyclohexyl-2,5-dienyliden)-phenyl-acetonitril
- < 4-Hydroxyimino-3-methyl-cyclohexyl-2,5-dienyliden> -phenyl-acetonitril
- AC1O0MFO
- NSC405164
- 728-65-4
- NSC-405164
- DTXSID30421709
-
- Inchi： 1S/C15H12N2O/c1-11-9-13(7-8-15(11)17-18)14(10-16)12-5-3-2-4-6-12/h2-9,18H,1H3/b14-13+,17-15-
- InChI Key： ZIXGUBOBZGPBQZ-WTMIRVJVSA-N
- SMILES： ON=C1C=CC(=C(C#N)C2C=CC=CC=2)C=C1C |t:1,5|
Computed Properties
- Exact Mass: 236.09506
- Monoisotopic Mass: 236.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 494
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 56.4?2
Experimental Properties
- PSA: 56.38
- LogP: 3.31008
Benzeneacetonitrile, a-[4-(hydroxyimino)-3-methyl-2,5-cyclohexadien-1-ylidene]- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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