Cas no 675200-44-9 (3-(Chloromethylidene)oxetan-2-one)
675200-44-9 structure
Product Name:3-(Chloromethylidene)oxetan-2-one
CAS No:675200-44-9
MF:C4H3ClO2
MW:118.51842045784
CID:2797735
PubChem ID:71368140
Update Time:2025-04-21
3-(Chloromethylidene)oxetan-2-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID90791218
- 675200-44-9
- 3-(Chloromethylidene)oxetan-2-one
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- Inchi： 1S/C4H3ClO2/c5-1-3-2-7-4(3)6/h1H,2H2
- InChI Key： FKOBTWSMKXZSKZ-UHFFFAOYSA-N
- SMILES： ClC=C1C(=O)OC1
Computed Properties
- Exact Mass: 117.9821570Da
- Monoisotopic Mass: 117.9821570Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.6
- Topological Polar Surface Area: 26.3?2
3-(Chloromethylidene)oxetan-2-one Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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