Cas no 150435-90-8 (2-Pentalenecarbonylchloride, octahydro-)
150435-90-8 structure
Product Name:2-Pentalenecarbonylchloride, octahydro-
CAS No:150435-90-8
MF:C9H13ClO
MW:172.651921987534
CID:99885
PubChem ID:45081429
Update Time:2025-04-18
2-Pentalenecarbonylchloride, octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentalenecarbonylchloride, octahydro-
- 1,2,3,3a,4,5,6,6a-octahydropentalene-2-carbonyl chloride
- 2-Pentalenecarbonyl chloride, octahydro- (9CI)
- 150435-90-8
- 2-Pentalenecarbonyl chloride,octahydro-(9ci)
- DTXSID30664598
- Octahydropentalene-2-carbonyl chloride
-
- Inchi： 1S/C9H13ClO/c10-9(11)8-4-6-2-1-3-7(6)5-8/h6-8H,1-5H2
- InChI Key： RLEYOIPWSIZBKJ-UHFFFAOYSA-N
- SMILES： ClC(C1CC2CCCC2C1)=O
Computed Properties
- Exact Mass: 172.06559
- Monoisotopic Mass: 172.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 3.1
Experimental Properties
- PSA: 17.07
2-Pentalenecarbonylchloride, octahydro- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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