Cas no 51927-06-1 (Dimethyl 4-cyanophthalate)
Dimethyl 4-cyanophthalate structure
Product Name:Dimethyl 4-cyanophthalate
CAS No:51927-06-1
MF:C11H9NO4
MW:219.193463087082
CID:2115711
Update Time:2023-08-04
Dimethyl 4-cyanophthalate Chemical and Physical Properties
Names and Identifiers
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- dimethyl 4-cyanophthalate
- Dimethyl 4-cyanophthalate
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- Inchi： 1S/C11H9NO4/c1-15-10(13)8-4-3-7(6-12)5-9(8)11(14)16-2/h3-5H,1-2H3
- InChI Key： LBJBGSRFQUZRPM-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C#N)C=CC=1C(=O)OC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 330
- XLogP3: 1.3
- Topological Polar Surface Area: 76.4
Dimethyl 4-cyanophthalate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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