Cas no 65183-49-5 (Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl-)
![Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl- structure](https://ossimg.kuujia.com/scimg/65500/65183-49-5x500.png)
65183-49-5 structure
Product Name:Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl-
CAS No:65183-49-5
MF:C13H11N3O3
MW:257.244742631912
CID:402911
PubChem ID:387458
Update Time:2025-04-19
Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl-
- 5,7-dimethyl-3-phenyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
- DTXSID30327737
- 65183-49-5
- 5,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
- 5',4-d)pyrimidin-4,6-dione
- 5,7-dimethyl-3-phenyl-isoxazolo[3,4-d]pyrimidine-4,6-dione
- NSC681264
- NSC-681264
- SCHEMBL11434696
- CHEMBL1971543
- AMRYLFCALUMNPV-UHFFFAOYSA-N
- 3-Phenyl-5,7-dimethyl-5H,7H-isoxazolo[3,4-d]pyrimidine-4,6-dione
- NCI60_029018
-
- Inchi： 1S/C13H11N3O3/c1-15-11-9(12(17)16(2)13(15)18)10(19-14-11)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key： AMRYLFCALUMNPV-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C2C(N(C)C(N(C)C2=N1)=O)=O
Computed Properties
- Exact Mass: 257.08013
- Monoisotopic Mass: 257.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 395
- 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: 1.3
- Topological Polar Surface Area: 66.6?2
Experimental Properties
- PSA: 66.65
Isoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-3-phenyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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