Cas no 287472-24-6 (5-Pyrimidineacetonitrile,a-hydroxy-)
287472-24-6 structure
Product Name:5-Pyrimidineacetonitrile,a-hydroxy-
CAS No:287472-24-6
MF:C6H5N3O
MW:135.123400449753
CID:248742
PubChem ID:45080110
Update Time:2025-04-19
5-Pyrimidineacetonitrile,a-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidineacetonitrile,a-hydroxy-
- 5-Pyrimidineacetonitrile, alpha-hydroxy- (9CI)
- 2-hydroxy-2-pyrimidin-5-ylacetonitrile
- 2-HYDROXY-2-(PYRIMIDIN-5-YL)ACETONITRILE
- FT-0713100
- 287472-24-6
-
- Inchi： 1S/C6H5N3O/c7-1-6(10)5-2-8-4-9-3-5/h2-4,6,10H
- InChI Key： VPBOBWNUNZTGPY-UHFFFAOYSA-N
- SMILES： OC(C#N)C1=CN=CN=C1
Computed Properties
- Exact Mass: 135.043
- Monoisotopic Mass: 135.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 144
- 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: 69.8A^2
- XLogP3: -0.7
Experimental Properties
- Density: 1.346±0.06 g/cm3(Predicted)
- Boiling Point: 344.9±27.0 °C(Predicted)
5-Pyrimidineacetonitrile,a-hydroxy- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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