Cas no 87884-37-5 (Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-)
![Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)- structure](https://ossimg.kuujia.com/scimg/88000/87884-37-5x500.png)
87884-37-5 structure
Product Name:Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-
CAS No:87884-37-5
MF:C13H14N2O8
MW:326.258863925934
CID:651113
PubChem ID:13379361
Update Time:2025-04-19
Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)-
- [(2R)-3-ethoxy-2-methyl-3-oxopropyl] 3,5-dinitrobenzoate
- 87884-37-5
- (2R)-3-Ethoxy-2-methyl-3-oxopropyl 3,5-dinitrobenzoate
- DTXSID10538768
- 3-Ethoxy-2-methyl-3-oxopropyl 3,5-dinitrobenzoate #
- YDPJPKUAMFPKMR-MRVPVSSYSA-N
-
- Inchi： 1S/C13H14N2O8/c1-3-22-12(16)8(2)7-23-13(17)9-4-10(14(18)19)6-11(5-9)15(20)21/h4-6,8H,3,7H2,1-2H3/t8-/m1/s1
- InChI Key： YDPJPKUAMFPKMR-MRVPVSSYSA-N
- SMILES： O(C(C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O)C[C@H](C(=O)OCC)C
Computed Properties
- Exact Mass: 326.07501541g/mol
- Monoisotopic Mass: 326.07501541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 448
- 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: 2.2
- Topological Polar Surface Area: 144?2
Propanoic acid, 3-[(3,5-dinitrobenzoyl)oxy]-2-methyl-, ethyl ester, (R)- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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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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