Cas no 71308-35-5 (Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]-)
![Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]- structure](https://ossimg.kuujia.com/scimg/71500/71308-35-5x500.png)
71308-35-5 structure
Product Name:Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]-
CAS No:71308-35-5
MF:C12H10N2O
MW:198.22060251236
CID:565180
PubChem ID:126295
Update Time:2025-04-19
Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]-
- [1-(butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl] benzoate
- tyrphostin AG17
- ((4-Hydroxy-3,5-dimethylphenyl)methylene)propanedinitrile
- Propanedinitrile, ((4-hydroxy-3,5-dimethylphenyl)methylene)-
- 2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]propanedinitrile
- CHEMBL443872
- Tyrphostin Ag-17
- RG 50872
- 2-(3,5-Dimethyl-4-Hydroxy-Benzylidene)-Malononitrile
- SCHEMBL3248262
- [(4-Hydroxy-3,5-dimethylphenyl)methylidene]propanedinitrile
- DTXSID90991610
- OEDSJMUPYHBZAL-UHFFFAOYSA-N
- Tyrphostin-AG17
- 71308-35-5
-
- Inchi： 1S/C12H10N2O/c1-8-3-10(4-9(2)12(8)15)5-11(6-13)7-14/h3-5,15H,1-2H3
- InChI Key： OEDSJMUPYHBZAL-UHFFFAOYSA-N
- SMILES： OC1C(C)=CC(/C=C(\C#N)/C#N)=CC=1C
Computed Properties
- Exact Mass: 198.0794
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 11
- Complexity: 467
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 67.81
Propanedinitrile,2-[(4-hydroxy-3,5-dimethylphenyl)methylene]- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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