Cas no 85204-18-8 (Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate)
![Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate structure](https://ossimg.kuujia.com/scimg/85500/85204-18-8x500.png)
85204-18-8 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate
CAS No:85204-18-8
MF:C13H20O2
MW:208.296704292297
CID:732953
PubChem ID:44153861
Update Time:2025-04-19
Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate
- 1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethyl acetate
- 1-(3,3-dimethylbicyclo[2.2.1]hept-5-en-2-yl)ethyl acetate
-
- Inchi： 1S/C13H20O2/c1-8(15-9(2)14)12-10-5-6-11(7-10)13(12,3)4/h5-6,8,10-12H,7H2,1-4H3
- InChI Key： ASHKOXCVKJACGB-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C)C1C2C=CC(C2)C1(C)C
Computed Properties
- Exact Mass: 208.146
- Monoisotopic Mass: 208.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 304
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3
Experimental Properties
- Density: 0.996
- Boiling Point: 248.2°C at 760 mmHg
- Flash Point: 86.5°C
- Refractive Index: 1.481
Bicyclo[2.2.1]hept-5-ene-2-methanol,a,3,3-trimethyl-, 2-acetate Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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