Cas no 625-96-7 (3-methylcyclohexan-1-one)
3-methylcyclohexan-1-one structure
Product Name:3-methylcyclohexan-1-one
CAS No:625-96-7
MF:C7H12O
MW:112.169582366943
CID:956943
Update Time:2025-04-19
3-methylcyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
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- 3-methylcyclohexan-1-one
-
- Inchi： 1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3
- InChI Key： UJBOOUHRTQVGRU-UHFFFAOYSA-N
- SMILES： CC1CC(=O)CCC1
Computed Properties
- Exact Mass: 112.088815
- Monoisotopic Mass: 112.088815
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 96.6
- 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: 17.1
3-methylcyclohexan-1-one Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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