Cas no 18731-58-3 (Cyclohexanecarboxylicacid, 2-methylphenyl ester)
18731-58-3 structure
Product Name:Cyclohexanecarboxylicacid, 2-methylphenyl ester
CAS No:18731-58-3
MF:C14H18O2
MW:218.291524410248
CID:153360
PubChem ID:87765
Update Time:2025-04-19
Cyclohexanecarboxylicacid, 2-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylicacid, 2-methylphenyl ester
- (2-methylphenyl) cyclohexanecarboxylate
- o-tolyl cyclohexanecarboxylate
- EINECS 242-541-7
- Cyclohexanecarboxylic acid 2-methylphenyl ester
- DTXSID10172040
- AKOS002948230
- 2-Methylphenyl cyclohexanecarboxylate #
- 18731-58-3
- SCHEMBL11590449
- G268Z47DAT
- AN-652/41793082
- o-cresyl cyclohexanecarboxylate
- Cyclohexanecarboxylic acid, 2-methylphenyl ester
- NS00026121
- 2-Methylphenyl cyclohexanecarboxylate
-
- Inchi： 1S/C14H18O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
- InChI Key： UTBUSXPYYDGYGA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C)C(C1CCCCC1)=O
Computed Properties
- Exact Mass: 218.130679813g/mol
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Cyclohexanecarboxylicacid, 2-methylphenyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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