Cas no 826990-63-0 (3-Benzofurancarbonitrile, 2,4-dimethyl-)
826990-63-0 structure
Product Name:3-Benzofurancarbonitrile, 2,4-dimethyl-
CAS No:826990-63-0
MF:C11H9NO
MW:171.195262670517
CID:687181
PubChem ID:71417949
Update Time:2025-04-19
3-Benzofurancarbonitrile, 2,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Benzofurancarbonitrile, 2,4-dimethyl-
- 2,4-dimethyl-1-benzofuran-3-carbonitrile
- 826990-63-0
- DTXSID00837277
-
- Inchi： 1S/C11H9NO/c1-7-4-3-5-10-11(7)9(6-12)8(2)13-10/h3-5H,1-2H3
- InChI Key： HLZONFOYHSWGRL-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C#N)C2C(C)=CC=CC1=2
Computed Properties
- Exact Mass: 171.068413911g/mol
- Monoisotopic Mass: 171.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 242
- 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: 2.8
- Topological Polar Surface Area: 36.9?2
3-Benzofurancarbonitrile, 2,4-dimethyl- Related Literature
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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