Cas no 288087-94-5 (1(2H)-Pyrimidineaceticacid, tetrahydro-a-methyl-2,4,6-trioxo-3-propyl-)
288087-94-5 structure
Product Name:1(2H)-Pyrimidineaceticacid, tetrahydro-a-methyl-2,4,6-trioxo-3-propyl-
CAS No:288087-94-5
MF:C10H14N2O5
MW:242.228562831879
CID:248809
Update Time:2024-01-26
1(2H)-Pyrimidineaceticacid, tetrahydro-a-methyl-2,4,6-trioxo-3-propyl- Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyrimidineaceticacid, tetrahydro-a-methyl-2,4,6-trioxo-3-propyl-
- 1-(1-Carboxyethyl)-3-propylbarbituricacid
- 1(2H)-Pyrimidineacetic acid, tetrahydro--alpha--methyl-2,4,6-trioxo-3-propyl-
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- Inchi： 1S/C10H14N2O5/c1-3-4-11-7(13)5-8(14)12(10(11)17)6(2)9(15)16/h6H,3-5H2,1-2H3,(H,15,16)
- InChI Key： RGYHCRWLNBTLGZ-UHFFFAOYSA-N
- SMILES： C1(=O)N(C(C)C(O)=O)C(=O)CC(=O)N1CCC
Computed Properties
- Exact Mass: 242.09
- Monoisotopic Mass: 242.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95A^2
1(2H)-Pyrimidineaceticacid, tetrahydro-a-methyl-2,4,6-trioxo-3-propyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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