Cas no 407628-30-2 (Cyclohexanecarboxylicacid, 4-acetyl-)
407628-30-2 structure
Product Name:Cyclohexanecarboxylicacid, 4-acetyl-
CAS No:407628-30-2
MF:C9H14O3
MW:170.205663204193
CID:326159
PubChem ID:5238444
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 4-acetyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 4-acetyl-
- 4-acetylcyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 4-acetyl- (9CI)
- 4-acetylcyclohexanecarboxylic acid
- SCHEMBL1656991
- 131246-74-7
- 4-acetylcyclohexanecarboxylicacid
- Rel-(1s,4s)-4-acetylcyclohexane-1-carboxylic acid
- SCHEMBL3997992
- 407628-30-2
- DTXSID10412352
- trans-4-acetylcyclohexanecarboxylic acid
- Rel-(1s,4r)-4-acetylcyclohexane-1-carboxylic acid
- SCHEMBL13951664
- 500688-80-2
-
- 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
Cyclohexanecarboxylicacid, 4-acetyl- Related Literature
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
407628-30-2 (Cyclohexanecarboxylicacid, 4-acetyl-) 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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