Cas no 1160956-55-7 (3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile)
1160956-55-7 structure
Product Name:3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile
CAS No:1160956-55-7
MF:C13H15NO2
MW:217.263703584671
CID:2152247
Update Time:2023-08-05
3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile
- BLOYCYIUXYMGCT-UHFFFAOYSA-N
- 3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile
-
- Inchi： 1S/C13H15NO2/c1-3-11-5-10(6-14)4-9(2)13(11)16-8-12-7-15-12/h4-5,12H,3,7-8H2,1-2H3
- InChI Key： BLOYCYIUXYMGCT-UHFFFAOYSA-N
- SMILES： O1CC1COC1C(C)=CC(C#N)=CC=1CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 283
- Topological Polar Surface Area: 45.6
3-Ethyl-5-methyl-4-oxiranylmethoxy-benzonitrile Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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