Cas no 33101-04-1 (33101-04-1)
33101-04-1 structure
Product Name:33101-04-1
CAS No:33101-04-1
MF:C11H16O2
MW:180.243543624878
CID:917601
PubChem ID:301160
Update Time:2025-04-19
33101-04-1 Chemical and Physical Properties
Names and Identifiers
-
- NSC177446
- NSC-177446
- 33101-04-1
- DTXSID80306552
- Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate
-
- Inchi： 1S/C11H16O2/c1-13-9(12)8-7-10-3-2-4-11(8,10)6-5-10/h8H,2-7H2,1H3
- InChI Key： GNGRRAWFNMELKJ-UHFFFAOYSA-N
- SMILES： O(C)C(C1CC23CCCC21CC3)=O
Computed Properties
- Exact Mass: 180.11508
- Monoisotopic Mass: 180.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 273
- 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: 2.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.13
- Boiling Point: 219.7°C at 760 mmHg
- Flash Point: 82.3°C
- Refractive Index: 1.524
- PSA: 26.3
33101-04-1 Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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