Cas no 80880-32-6 (1,2-Ethanediol, acetate 3,5-dinitrobenzoate)
80880-32-6 structure
Product Name:1,2-Ethanediol, acetate 3,5-dinitrobenzoate
CAS No:80880-32-6
MF:C11H14N2O10
MW:334.236263751984
CID:704912
PubChem ID:71421089
Update Time:2025-04-19
1,2-Ethanediol, acetate 3,5-dinitrobenzoate Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediol, acetate 3,5-dinitrobenzoate
- acetic acid,3,5-dinitrobenzoic acid,ethane-1,2-diol
- DTXSID50840256
- 80880-32-6
- acetic acid;3,5-dinitrobenzoic acid;ethane-1,2-diol
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- Inchi： 1S/C7H4N2O6.C2H4O2.C2H6O2/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-2(3)4;3-1-2-4/h1-3H,(H,10,11);1H3,(H,3,4);3-4H,1-2H2
- InChI Key： NGUZTCMCBNKQGE-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.OCCO.OC(C)=O
Computed Properties
- Exact Mass: 334.06484465g/mol
- Monoisotopic Mass: 334.06484465g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 308
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 207?2
1,2-Ethanediol, acetate 3,5-dinitrobenzoate 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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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
80880-32-6 (1,2-Ethanediol, acetate 3,5-dinitrobenzoate) Related Products
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