Cas no 77977-74-3 (1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)-)
77977-74-3 structure
Product Name:1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)-
CAS No:77977-74-3
MF:C8H9NO4
MW:183.161362409592
CID:535139
PubChem ID:1532163
Update Time:2025-04-19
1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)-
- (1R)-1-(4-nitrophenyl)ethane-1,2-diol
- DTXSID20364176
- 77977-74-3
-
- Inchi： 1S/C8H9NO4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-4,8,10-11H,5H2/t8-/m0/s1
- InChI Key： YOJHBFHEOQUUAR-QMMMGPOBSA-N
- SMILES： O[C@@H](CO)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 183.05317
- Monoisotopic Mass: 183.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 86.3?2
Experimental Properties
- PSA: 83.6
1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
77977-74-3 (1,2-Ethanediol, 1-(4-nitrophenyl)-, (R)-) Related Products
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