Cas no 641-11-2 (1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl-)
641-11-2 structure
Product Name:1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl-
CAS No:641-11-2
MF:C11H16O3
MW:196.242943763733
CID:514800
PubChem ID:12306809
Update Time:2025-04-19
1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl-
- Angustione
- 641-11-2
- SCHEMBL1573211
-
- Inchi： 1S/C11H16O3/c1-6-5-11(3,4)10(14)8(7(2)12)9(6)13/h6,8H,5H2,1-4H3
- InChI Key： NZMPUCGPIWVSMA-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)=O)C(C(C)CC1(C)C)=O
Computed Properties
- Exact Mass: 196.109944368g/mol
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 302
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 51.2?2
1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
641-11-2 (1,3-Cyclohexanedione,2-acetyl-4,4,6-trimethyl-) Related Products
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- 1660-04-4(1-(1-adamantyl)ethanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 559-74-0(Friedelin)
- 874-23-7(2-acetylcyclohexan-1-one)
- 7307-04-2(5,5-Dimethylhexane-2,4-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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