Cas no 101055-79-2 (1,4-Methanopentalene-2-carbonyl chloride, octahydro- (9CI))
101055-79-2 structure
Product Name:1,4-Methanopentalene-2-carbonyl chloride, octahydro- (9CI)
CAS No:101055-79-2
MF:C10H13ClO
MW:184.662622213364
CID:124452
PubChem ID:45081563
Update Time:2025-04-18
1,4-Methanopentalene-2-carbonyl chloride, octahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Methanopentalene-2-carbonyl chloride, octahydro- (9CI)
- 1,4-Methanopentalene-2-carbonylchloride, octahydro-
- 5-Chlortricyclo[4.3.0.03,7]nonan
- 5-Chlortricyclo< 4.3.0.03,7> nonan
- ACMC-20m442
- AG-D-07319
- CTK0H2374
- 101055-79-2
- 1,4-Methanopentalene-2-carbonyl chloride,octahydro-(9ci)
- DTXSID50664691
- Octahydro-1,4-methanopentalene-2-carbonyl chloride
-
- Inchi: 1S/C10H13ClO/c11-10(12)9-4-7-5-1-2-6(7)8(9)3-5/h5-9H,1-4H2
- InChI Key: PYUSRMWVTGYHQJ-UHFFFAOYSA-N
- SMILES: ClC(C1CC2C3CCC2C1C3)=O
Computed Properties
- Exact Mass: 184.06559
- Monoisotopic Mass: 184.065
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- 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
1,4-Methanopentalene-2-carbonyl chloride, octahydro- (9CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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