Cas no 49582-71-0 (4-(Dimethylamino)-4-ethoxy-3-buten-2-one)
49582-71-0 structure
Product Name:4-(Dimethylamino)-4-ethoxy-3-buten-2-one
CAS No:49582-71-0
MF:C8H15NO2
MW:157.210202455521
CID:2669528
Update Time:2023-08-06
4-(Dimethylamino)-4-ethoxy-3-buten-2-one Chemical and Physical Properties
Names and Identifiers
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- 4-(Dimethylamino)-4-ethoxy-3-buten-2-one
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- Inchi： 1S/C8H15NO2/c1-5-11-8(9(3)4)6-7(2)10/h6H,5H2,1-4H3/b8-6+
- InChI Key： KVHCIHGJHYZUSD-SOFGYWHQSA-N
- SMILES： O(CC)/C(=C/C(C)=O)/N(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 162
- Topological Polar Surface Area: 29.5
4-(Dimethylamino)-4-ethoxy-3-buten-2-one Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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