Cas no 13390-74-4 (2-Oxetanone, 3-(chloromethyl)-3-methyl-)
13390-74-4 structure
Product Name:2-Oxetanone, 3-(chloromethyl)-3-methyl-
CAS No:13390-74-4
MF:C5H7ClO2
MW:134.560880899429
CID:1242798
PubChem ID:10887962
Update Time:2025-04-20
2-Oxetanone, 3-(chloromethyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxetanone, 3-(chloromethyl)-3-methyl-
- 3-(chloromethyl)-3-methyloxetan-2-one
- SCHEMBL7039271
- 13390-74-4
- DTXSID50447108
- alpha-chloromethyl-alpha-methyl-beta-propiolactone
-
- Inchi： 1S/C5H7ClO2/c1-5(2-6)3-8-4(5)7/h2-3H2,1H3
- InChI Key： QQNJXKGKZPZIFW-UHFFFAOYSA-N
- SMILES： ClCC1(C)C(=O)OC1
Computed Properties
- Exact Mass: 134.0134572g/mol
- Monoisotopic Mass: 134.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 124
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 26.3?2
2-Oxetanone, 3-(chloromethyl)-3-methyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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