Cas no 791836-27-6 (2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester)
![2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester structure](https://ossimg.kuujia.com/scimg/792000/791836-27-6x500.png)
791836-27-6 structure
Product Name:2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester
CAS No:791836-27-6
MF:C12H18O3
MW:210.269524097443
CID:555819
PubChem ID:45097225
Update Time:2025-04-19
2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester
- 2-Propenoicacid,2-methyl-,6-hydroxy-5-methylbicyclo[2.2.1]hept-2-ylester(9CI)
- 791836-27-6
-
- Inchi： 1S/C12H18O3/c1-6(2)12(14)15-10-5-8-4-9(10)11(13)7(8)3/h7-11,13H,1,4-5H2,2-3H3
- InChI Key： AUHQRTFXZKGZHG-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)C1CC2CC1C(C2C)O
Computed Properties
- Exact Mass: 210.12600
- Monoisotopic Mass: 210.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 297
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.5A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 46.53000
- LogP: 1.51110
2-Propenoic acid,2-methyl-, 6-hydroxy-5-methylbicyclo[2.2.1]hept-2-yl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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