Cas no 93963-21-4 (Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester)
![Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester structure](https://ossimg.kuujia.com/scimg/94000/93963-21-4x500.png)
93963-21-4 structure
Product Name:Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester
CAS No:93963-21-4
MF:C11H16O2
MW:180.243543624878
CID:805478
PubChem ID:44148318
Update Time:2025-04-19
Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester
- 5-bicyclo[2.2.1]hept-2-enyl 2-methylpropanoate
- bicyclo[2.2.1]hept-5-en-2-yl isobutyrate
- DTXSID90869163
- BICYCLO[2.2.1]HEPT-5-EN-2-YL 2-METHYLPROPANOATE
- SCHEMBL958078
- Propanoic acid, 2-methyl-, bicyclo(2.2.1)hept-5-en-2-yl ester
- EINECS 300-762-7
- NS00064092
- Bicyclo(2.2.1)hept-5-en-2-yl isobutyrate
- 93963-21-4
-
- Inchi： 1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3
- InChI Key： UHBUKFKTICTRIO-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)C1CC2C=CC1C2
Computed Properties
- Exact Mass: 180.115029749g/mol
- Monoisotopic Mass: 180.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 243
- 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
- XLogP3: 2.5
- Topological Polar Surface Area: 26.3?2
Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
93963-21-4 (Propanoic acid,2-methyl-, bicyclo[2.2.1]hept-5-en-2-yl ester) Related Products
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