Cas no 190321-74-5 (Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester)
190321-74-5 structure
Product Name:Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester
CAS No:190321-74-5
MF:C10H18O3
MW:186.248123645782
CID:3850041
PubChem ID:13548163
Update Time:2025-04-22
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester
- trans-4-Hydroxymethyl-cyclohexanecarboxylic acid ethyl ester
- trans-Ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
- DTXSID20543505
- ZVWQHGKXYFSVEU-KYZUINATSA-N
- 190321-74-5
- SCHEMBL663520
- DTXCID70494290
- CS-W006701
- ZVWQHGKXYFSVEU-DTORHVGOSA-N
- BCP27594
- A11333
- AKOS015999713
- 104802-52-0
- ethyl 4-(hydroxymethyl)cyclohexanecarboxylate
- ETHYL 4-(HYDROXYMETHYL)CYCLOHEXANE-1-CARBOXYLATE
- HS-3053
- (1R,4R)-ETHYL 4-(HYDROXYMETHYL)CYCLOHEXANECARBOXYLATE
- MFCD12965035
- DB-091506
- AKOS015843397
- ZVWQHGKXYFSVEU-UHFFFAOYSA-N
- Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester, trans-
- SCHEMBL2374740
- ethyl (1r,4r)-4-(hydroxymethyl)cyclohexane-1-carboxylate
- SCHEMBL663519
- DS-15570
- ethyl cis-4-(hydroxymethyl)cyclohexanecarboxylate
-
- Inchi： 1S/C10H18O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h8-9,11H,2-7H2,1H3
- InChI Key： ZVWQHGKXYFSVEU-UHFFFAOYSA-N
- SMILES： C1(C(OCC)=O)CCC(CO)CC1
Computed Properties
- Exact Mass: 186.125594432Da
- Monoisotopic Mass: 186.125594432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 160
- 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: 1.2
- Topological Polar Surface Area: 46.5?2
Cyclohexanecarboxylic acid, 4-(hydroxymethyl)-, ethyl ester Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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