Cas no 5563-45-1 (Propanoic acid,2,2-dimethyl-, 3-nitropropyl ester)
5563-45-1 structure
Product Name:Propanoic acid,2,2-dimethyl-, 3-nitropropyl ester
CAS No:5563-45-1
MF:C12H16N2O5S
MW:300.330842018127
CID:379465
PubChem ID:2852944
Update Time:2025-04-19
Propanoic acid,2,2-dimethyl-, 3-nitropropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2,2-dimethyl-, 3-nitropropyl ester
- morpholine, 2,6-dimethyl-4-[(2-nitrophenyl)sulfonyl]-
- 2,6-dimethyl-4-(2-nitrophenyl)sulfonylmorpholine
- 2,6-dimethyl-4-[(2-nitrophenyl)sulfonyl]morpholine
- CB15673
- SR-01000478140
- 5563-45-1
- AKOS001648336
- AKOS017085004
- CBMicro_012454
- SMSF0006190
- STK044115
- BIM-0012285.P001
- DTXSID20386095
- SR-01000478140-1
-
- Inchi： 1S/C12H16N2O5S/c1-9-7-13(8-10(2)19-9)20(17,18)12-6-4-3-5-11(12)14(15)16/h3-6,9-10H,7-8H2,1-2H3
- InChI Key： VKRZEOJRZIZNJT-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1[N+](=O)[O-])(N1CC(C)OC(C)C1)(=O)=O
Computed Properties
- Exact Mass: 300.07808
- Monoisotopic Mass: 300.07799279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 445
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 89.75
Propanoic acid,2,2-dimethyl-, 3-nitropropyl ester Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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