Cas no 61328-62-9 (1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-methyl-)
61328-62-9 structure
Product Name:1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-methyl-
CAS No:61328-62-9
MF:C11H16O5
MW:228.241744041443
CID:483793
PubChem ID:71396869
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-methyl-
- 3-acetyl-6-methylcyclohexane-1,2-dicarboxylic acid
- 61328-62-9
- DTXSID40818404
-
- Inchi： 1S/C11H16O5/c1-5-3-4-7(6(2)12)9(11(15)16)8(5)10(13)14/h5,7-9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
- InChI Key： CKSOVQJZINFMQK-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)C(C(C)=O)CCC1C)=O
Computed Properties
- Exact Mass: 228.09978
- Monoisotopic Mass: 228.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 322
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 91.7?2
Experimental Properties
- PSA: 91.67
1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-methyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
61328-62-9 (1,2-Cyclohexanedicarboxylic acid, 3-acetyl-6-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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