Cas no 174020-37-2 (1-Pentalenecarbonylchloride, octahydro-)
174020-37-2 structure
Product Name:1-Pentalenecarbonylchloride, octahydro-
CAS No:174020-37-2
MF:C9H13ClO
MW:172.651921987534
CID:111657
PubChem ID:12869765
Update Time:2025-04-18
1-Pentalenecarbonylchloride, octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentalenecarbonylchloride, octahydro-
- 1,2,3,3a,4,5,6,6a-octahydropentalene-1-carbonyl chloride
- 1-Pentalenecarbonyl chloride, octahydro- (9CI)
- Octahydropentalene-1-carbonyl chloride
- 174020-37-2
- DTXSID10511970
- SCHEMBL9539732
-
- Inchi： 1S/C9H13ClO/c10-9(11)8-5-4-6-2-1-3-7(6)8/h6-8H,1-5H2
- InChI Key： OQILNGGRRHAVQS-UHFFFAOYSA-N
- SMILES： ClC(C1CCC2CCCC21)=O
Computed Properties
- Exact Mass: 172.06559
- Monoisotopic Mass: 172.0654927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 178
- 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: 3.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Pentalenecarbonylchloride, octahydro- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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