Cas no 4638-83-9 (1-Cyclohexene-1-propanoic acid, 4-(1-methylethyl)-)
4638-83-9 structure
Product Name:1-Cyclohexene-1-propanoic acid, 4-(1-methylethyl)-
CAS No:4638-83-9
MF:C12H20O2
MW:196.286004066467
CID:1517537
PubChem ID:21396673
Update Time:2025-04-21
1-Cyclohexene-1-propanoic acid, 4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Cyclohexene-1-propanoic acid, 4-(1-methylethyl)-
- [p-Menth-1-en-7-yl]-essigsaeure
- 3-(4-isopropylcyclohex-1-enyl)propanoic acid
- SCHEMBL11670327
- DA-25160
- 4638-83-9
-
- Inchi： 1S/C12H20O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3,9,11H,4-8H2,1-2H3,(H,13,14)
- InChI Key： YUISXEPWCYTDQH-UHFFFAOYSA-N
- SMILES： OC(CCC1=CCC(C(C)C)CC1)=O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 229
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 37.3
1-Cyclohexene-1-propanoic acid, 4-(1-methylethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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