Cas no 22833-72-3 (Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester)
![Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester structure](https://ossimg.kuujia.com/scimg/23000/22833-72-3x500.png)
22833-72-3 structure
Product Name:Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester
CAS No:22833-72-3
MF:C13H22O2
MW:210.312584400177
CID:282809
PubChem ID:90846
Update Time:2025-04-19
Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester
- methyl 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoate
- methyl 3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)propanoate
- Methyl 3,3-dimethylbicyclo(2.2.1)heptane-2-propionate
- DTXSID90945532
- 22833-72-3
- Methyl 3-(3,3-dimethylbicyclo[2.2.1]heptan-2-yl)propanoate
- A15396
- NS00048044
- EINECS 245-257-1
-
- Inchi： 1S/C13H22O2/c1-13(2)10-5-4-9(8-10)11(13)6-7-12(14)15-3/h9-11H,4-8H2,1-3H3
- InChI Key： NYCUNWVIVVNUNY-UHFFFAOYSA-N
- SMILES： O(C)C(CCC1C2CCC(C2)C1(C)C)=O
Computed Properties
- Exact Mass: 210.16206
- Monoisotopic Mass: 210.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.5
Experimental Properties
- Density: 0.966
- Boiling Point: 249.4°Cat760mmHg
- Flash Point: 101.4°C
- Refractive Index: 1.463
- PSA: 26.3
Bicyclo[2.2.1]heptane-2-propanoicacid, 3,3-dimethyl-, methyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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