Cas no 192433-20-8 (Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)-)
192433-20-8 structure
Product Name:Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)-
CAS No:192433-20-8
MF:C8H12O3
MW:156.179082870483
CID:116176
PubChem ID:10820816
Update Time:2025-04-18
Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)-
- (1R)-1-methyl-3-oxocyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 1-methyl-3-oxo-, (R)- (9CI)
- CTK0H1464
- DTXSID00445290
- 192433-20-8
- Cyclohexanecarboxylic acid, 1-methyl-3-oxo-, (R)-(9CI)
-
- Inchi： 1S/C8H12O3/c1-8(7(10)11)4-2-3-6(9)5-8/h2-5H2,1H3,(H,10,11)/t8-/m1/s1
- InChI Key： DTHOYTSHAJQOCX-MRVPVSSYSA-N
- SMILES： O=C1CCC[C@](C(=O)O)(C)C1
Computed Properties
- Exact Mass: 156.07866
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
192433-20-8 (Cyclohexanecarboxylicacid, 1-methyl-3-oxo-, (1R)-) Related Products
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- 14670-94-1(3,5-Dimethyladamantane-1-carboxylic acid)
- 874-61-3(4-oxocyclohexane-1-carboxylic acid)
- 62067-45-2(4-isopropylcyclohexane carboxylic acid)
- 39269-10-8(1,3-Adamantanedicarboxylic acid)
- 81-23-2(Dehydrocholic acid)
- 56674-87-4(2-Adamantanone-5-carboxylic Acid)
- 42858-60-6(Dihydroresorcylic Acid)
- 1123-25-7(1-methylcyclohexane-1-carboxylic acid)
- 828-51-3(Adamantane-1-carboxylic acid)
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