Cas no 113032-36-3 (1,3-Cyclohexanedione, 2-(pyrimidinylcarbonyl)-)
113032-36-3 structure
Product Name:1,3-Cyclohexanedione, 2-(pyrimidinylcarbonyl)-
CAS No:113032-36-3
MF:C11H10N2O3
MW:218.20870256424
CID:2609941
Update Time:2023-08-07
1,3-Cyclohexanedione, 2-(pyrimidinylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-(pyrimidine-2-carbonyl)cyclohexane-1,3-dione
- 1,3-Cyclohexanedione, 2-(pyrimidinylcarbonyl)-
- 2-(pyrimidinecarbonyl)-1,3-cyclohexanedione
-
- Inchi： 1S/C11H10N2O3/c14-7-3-1-4-8(15)9(7)10(16)11-12-5-2-6-13-11/h2,5-6,9H,1,3-4H2
- InChI Key： CUHMHNKEGROBLF-UHFFFAOYSA-N
- SMILES： O=C1CCCC(C1C(C1N=CC=CN=1)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 305
- Topological Polar Surface Area: 77
1,3-Cyclohexanedione, 2-(pyrimidinylcarbonyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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