Cas no 160946-03-2 (Cyclohexanone, 3-(2-pyrimidinyl)-)
160946-03-2 structure
Product Name:Cyclohexanone, 3-(2-pyrimidinyl)-
CAS No:160946-03-2
MF:C10H12N2O
MW:176.215082168579
CID:1340785
Update Time:2024-08-17
Cyclohexanone, 3-(2-pyrimidinyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclohexanone, 3-(2-pyrimidinyl)-
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- Inchi： 1S/C10H12N2O/c13-9-4-1-3-8(7-9)10-11-5-2-6-12-10/h2,5-6,8H,1,3-4,7H2
- InChI Key： GYNPVWUBUDDIGP-UHFFFAOYSA-N
- SMILES： C1(=O)CCCC(C2=NC=CC=N2)C1
Computed Properties
- Exact Mass: 176.09506
Experimental Properties
- Density: 1.147±0.06 g/cm3(Predicted)
- Boiling Point: 308.0±35.0 °C(Predicted)
- PSA: 42.85
- pka: 1.49±0.33(Predicted)
Cyclohexanone, 3-(2-pyrimidinyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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