Cas no 500688-80-2 (Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI))
500688-80-2 structure
Product Name:Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)
CAS No:500688-80-2
MF:C9H14O3
MW:170.205663204193
CID:933167
PubChem ID:5238444
Update Time:2025-04-19
Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)
- SCHEMBL3997992
- Rel-(1s,4r)-4-acetylcyclohexane-1-carboxylic acid
- 500688-80-2
- Cyclohexanecarboxylic acid, 4-acetyl-
- SCHEMBL25575141
- 4-acetylcyclohexanecarboxylicacid
- SCHEMBL1656991
- SCHEMBL13951664
- Rel-(1s,4s)-4-acetylcyclohexane-1-carboxylic acid
- DTXSID10412352
- 4-acetylcyclohexanecarboxylic acid
- 131246-74-7
- 407628-30-2
- trans-4-acetylcyclohexanecarboxylic acid
- DB-286374
-
- Inchi： 1S/C9H14O3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h7-8H,2-5H2,1H3,(H,11,12)/t7-,8+
- InChI Key： ZRKFRUWMDLOXNB-OCAPTIKFSA-N
- SMILES： OC([C@@H]1CC[C@H](C(C)=O)CC1)=O
Computed Properties
- Exact Mass: 170.094294304g/mol
- Monoisotopic Mass: 170.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 54.4?2
Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI) Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
500688-80-2 (Cyclohexanecarboxylic acid, 4-acetyl-, trans- (9CI)) Related Products
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- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
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- 6628-79-1(β-Methyllevulinic Acid)
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- 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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