Cas no 64754-35-4 (1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICYANO-, DIMETHYL ESTER)
64754-35-4 structure
Product Name:1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICYANO-, DIMETHYL ESTER
CAS No:64754-35-4
MF:C12H8N2O4
MW:244.202922821045
CID:3179549
PubChem ID:12403435
Update Time:2025-04-21
1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICYANO-, DIMETHYL ESTER Chemical and Physical Properties
Names and Identifiers
-
- 1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICYANO-, DIMETHYL ESTER
- Dimethyl 4,5-dicyanophthalate
- 64754-35-4
- DTXSID001334185
-
- Inchi： 1S/C12H8N2O4/c1-17-11(15)9-3-7(5-13)8(6-14)4-10(9)12(16)18-2/h3-4H,1-2H3
- InChI Key： LXQVKVDHAUFCJN-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C#N)C(C#N)=CC=1C(=O)OC)=O
Computed Properties
- Exact Mass: 244.04840674Da
- Monoisotopic Mass: 244.04840674Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 399
- 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: 1.1
- Topological Polar Surface Area: 100?2
1,2-BENZENEDICARBOXYLIC ACID, 4,5-DICYANO-, DIMETHYL ESTER Related Literature
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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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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