Cas no 820965-99-9 (2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)-)
![2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)- structure](https://ossimg.kuujia.com/scimg/821000/820965-99-9x500.png)
820965-99-9 structure
Product Name:2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)-
CAS No:820965-99-9
MF:C11H16N2O5
MW:256.255143165588
CID:699267
PubChem ID:71420210
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)-
- 3-[5-(methoxymethyl)-2,4-dioxo-1H-pyrimidin-6-yl]propyl acetate
- 820965-99-9
- DTXSID40839417
- 3-[5-(Methoxymethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]propyl acetate
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- Inchi： 1S/C11H16N2O5/c1-7(14)18-5-3-4-9-8(6-17-2)10(15)13-11(16)12-9/h3-6H2,1-2H3,(H2,12,13,15,16)
- InChI Key： VEGJZHHKFKHYQQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCCC1=C(C(NC(N1)=O)=O)COC
Computed Properties
- Exact Mass: 256.10592162g/mol
- Monoisotopic Mass: 256.10592162g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 389
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 93.7?2
2,4(1H,3H)-Pyrimidinedione, 6-[3-(acetyloxy)propyl]-5-(methoxymethyl)- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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