Cas no 33499-50-2 (2,4(1H,3H)-Pyrimidinedione,5-(hydroperoxymethyl)-)
33499-50-2 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-(hydroperoxymethyl)-
CAS No:33499-50-2
MF:C5H6N2O4
MW:158.112141132355
CID:314085
PubChem ID:147534
Update Time:2025-04-19
2,4(1H,3H)-Pyrimidinedione,5-(hydroperoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4(1H,3H)-Pyrimidinedione,5-(hydroperoxymethyl)-
- 5-(hydroperoxymethyl)-1H-pyrimidine-2,4-dione
- 5-(Hydroperoxymethyl)pyrimidine-2,4(1H,3H)-dione
- 5-Hydroperoxymethyluracil
- alpha-Tooh
- DTXSID30187136
- 33499-50-2
- AKOS006277912
- Uracil, 5-hydroperoxymethyl-
- 2,4(1H,3H)-Pyrimidinedione, 5-(hydroperoxymethyl)-
-
- Inchi： 1S/C5H6N2O4/c8-4-3(2-11-10)1-6-5(9)7-4/h1,10H,2H2,(H2,6,7,8,9)
- InChI Key： MXVRXIGBAGNOJF-UHFFFAOYSA-N
- SMILES： O(CC1=CNC(NC1=O)=O)O
Computed Properties
- Exact Mass: 158.03278
- Monoisotopic Mass: 158.03275668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 223
- 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: -2.4
- Topological Polar Surface Area: 87.7?2
Experimental Properties
- PSA: 87.66
2,4(1H,3H)-Pyrimidinedione,5-(hydroperoxymethyl)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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