Cas no 799270-75-0 (Pyrimidine, 2-(1E)-1-heptenyl-)
799270-75-0 structure
Product Name:Pyrimidine, 2-(1E)-1-heptenyl-
CAS No:799270-75-0
MF:C11H16N2
MW:176.258142471313
CID:531428
PubChem ID:71402466
Update Time:2025-04-19
Pyrimidine, 2-(1E)-1-heptenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-(1E)-1-heptenyl-
- 2-hept-1-enylpyrimidine
- 799270-75-0
- 2-(HEPT-1-EN-1-YL)PYRIMIDINE
- DTXSID20823430
-
- Inchi： 1S/C11H16N2/c1-2-3-4-5-6-8-11-12-9-7-10-13-11/h6-10H,2-5H2,1H3
- InChI Key： WORVKRRVWKBCHN-UHFFFAOYSA-N
- SMILES： N1C=CC=NC=1C=CCCCCC
Computed Properties
- Exact Mass: 176.131348519g/mol
- Monoisotopic Mass: 176.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 3.3
- Topological Polar Surface Area: 25.8?2
Pyrimidine, 2-(1E)-1-heptenyl- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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