Cas no 52834-93-2 (2,5-Cyclohexadien-1-ol, 4-methyl-1-(1-methylethyl)-4-nitro-, acetate (ester), trans- (9CI))
52834-93-2 structure
Product Name:2,5-Cyclohexadien-1-ol, 4-methyl-1-(1-methylethyl)-4-nitro-, acetate (ester), trans- (9CI)
CAS No:52834-93-2
MF:C12H17NO4
MW:239.267683744431
CID:5687259
Update Time:2023-09-25
2,5-Cyclohexadien-1-ol, 4-methyl-1-(1-methylethyl)-4-nitro-, acetate (ester), trans- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2,5-Cyclohexadien-1-ol, 4-methyl-1-(1-methylethyl)-4-nitro-, acetate (ester), trans- (9CI)
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- Inchi： 1S/C12H17NO4/c1-9(2)12(17-10(3)14)7-5-11(4,6-8-12)13(15)16/h5-9H,1-4H3/t11-,12+
- InChI Key： RIYCRZIBGZFTTK-TXEJJXNPSA-N
- SMILES： [C@@]1(OC(=O)C)(C(C)C)C=C[C@](C)([N+]([O-])=O)C=C1
Experimental Properties
- Density: 1.13±0.1 g/cm3(Predicted)
- Boiling Point: 309.8±42.0 °C(Predicted)
2,5-Cyclohexadien-1-ol, 4-methyl-1-(1-methylethyl)-4-nitro-, acetate (ester), trans- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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