Cas no 70353-45-6 (1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione)
![1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione structure](https://ossimg.kuujia.com/scimg/70500/70353-45-6x500.png)
70353-45-6 structure
Product Name:1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione
CAS No:70353-45-6
MF:C12H16O2
MW:192.254243850708
CID:975017
PubChem ID:12497338
Update Time:2025-04-19
1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione
- 1-(5-bicyclo[2.2.1]hept-2-enyl)pentane-1,4-dione
- 1-Bicyclo(2.2.1)hept-5-en-2-ylpentane-1,4-dione
- 1-(bicyclo[2.2.1]hept-5-en-2-yl)pentane-1,4-dione
- EINECS 274-576-9
- 70353-45-6
- SOUKUPRSHRMDND-UHFFFAOYSA-N
- DTXSID10990549
- 1,4-pentanedione, 1-bicyclo[2.2.1]hept-5-en-2-yl-
- NS00061756
-
- Inchi： 1S/C12H16O2/c1-8(13)2-5-12(14)11-7-9-3-4-10(11)6-9/h3-4,9-11H,2,5-7H2,1H3
- InChI Key： SOUKUPRSHRMDND-UHFFFAOYSA-N
- SMILES： O=C(CCC(C)=O)C1CC2C=CC1C2
Computed Properties
- Exact Mass: 192.11508
- Monoisotopic Mass: 192.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 291
- 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: 0.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1-bicyclo[2.2.1]hept-5-en-2-ylpentane-1,4-dione Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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