Cas no 61328-63-0 (Cyclohexanecarboxylic acid, 2-acetyl-5-methyl-)
61328-63-0 structure
Product Name:Cyclohexanecarboxylic acid, 2-acetyl-5-methyl-
CAS No:61328-63-0
MF:C10H16O3
MW:184.232243537903
CID:483792
PubChem ID:58091807
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 2-acetyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 2-acetyl-5-methyl-
- 2-acetyl-5-methylcyclohexane-1-carboxylic acid
- SCHEMBL12927379
- 61328-63-0
- DTXSID00728797
-
- Inchi： 1S/C10H16O3/c1-6-3-4-8(7(2)11)9(5-6)10(12)13/h6,8-9H,3-5H2,1-2H3,(H,12,13)
- InChI Key： WBKMHCWAPIPKMY-UHFFFAOYSA-N
- SMILES： OC(C1CC(C)CCC1C(C)=O)=O
Computed Properties
- Exact Mass: 184.10998
- Monoisotopic Mass: 184.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Cyclohexanecarboxylic acid, 2-acetyl-5-methyl- Related Literature
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
61328-63-0 (Cyclohexanecarboxylic acid, 2-acetyl-5-methyl-) Related Products
- 2305-32-0(trans-1,2-Cyclohexanedicarboxylic acid)
- 98-78-2(3-oxocyclopentane-1-carboxylic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 4331-54-8(4-methylcyclohexane-1-carboxylic acid)
- 6628-79-1(β-Methyllevulinic Acid)
- 874-61-3(4-oxocyclohexane-1-carboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 3971-31-1(Cyclohexane-1,3-dicarboxylic Acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 1076-97-7(1,4-Cyclohexanedicarboxylic Acid)
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