Cas no 62733-86-2 (Cyclohexanecarboxylic acid, 1-methyl-3-oxo-)
62733-86-2 structure
Product Name:Cyclohexanecarboxylic acid, 1-methyl-3-oxo-
CAS No:62733-86-2
MF:C8H12O3
MW:156.179082870483
CID:433804
PubChem ID:573904
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 1-methyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 1-methyl-3-oxo-
- 1-methyl-3-oxocyclohexane-1-carboxylic acid
- DTHOYTSHAJQOCX-UHFFFAOYSA-N
- 1-Methyl-3-oxocyclohexanecarboxylic acid
- DTXSID50341551
- 62733-86-2
- SCHEMBL11206064
-
- Inchi： 1S/C8H12O3/c1-8(7(10)11)4-2-3-6(9)5-8/h2-5H2,1H3,(H,10,11)
- InChI Key： DTHOYTSHAJQOCX-UHFFFAOYSA-N
- SMILES： O=C1CCCC(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: 0
- Undefined Atom Stereocenter Count : 1
- 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
Cyclohexanecarboxylic acid, 1-methyl-3-oxo- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
62733-86-2 (Cyclohexanecarboxylic acid, 1-methyl-3-oxo-) Related Products
- 14670-94-1(3,5-Dimethyladamantane-1-carboxylic acid)
- 874-61-3(4-oxocyclohexane-1-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)
- 943-29-3(4-tert-Butycyclohexanecarboxylic Acid)
- 27975-19-5(Isosteviol)
- 828-51-3(Adamantane-1-carboxylic acid)
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