Cas no 1244019-85-9 (Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate)
1244019-85-9 structure
Product Name:Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate
CAS No:1244019-85-9
MF:C9H12N2O3
MW:196.203182220459
CID:1085016
PubChem ID:136326595
Update Time:2025-04-20
Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate
- Butyl 6-oxo-1,6-dihydro-4-pyrimidinecarboxylate
- 1244019-85-9
- DTXSID301240622
- SCHEMBL3712576
- Butyl 1,6-dihydro-6-oxo-4-pyrimidinecarboxylate
- DB-384827
-
- Inchi： 1S/C9H12N2O3/c1-2-3-4-14-9(13)7-5-8(12)11-6-10-7/h5-6H,2-4H2,1H3,(H,10,11,12)
- InChI Key： UWZXMCZVTXBWGH-UHFFFAOYSA-N
- SMILES： O(C(C1=CC(NC=N1)=O)=O)CCCC
Computed Properties
- Exact Mass: 196.08479225g/mol
- Monoisotopic Mass: 196.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 294
- 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: 0.6
- Topological Polar Surface Area: 67.8?2
Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
1244019-85-9 (Butyl 6-oxo-1,6-dihydropyrimidine-4-carboxylate) Related Products
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