Cas no 56778-49-5 (2-Cyclopenten-1-one, 3-iodo-2-methyl-)
56778-49-5 structure
Product Name:2-Cyclopenten-1-one, 3-iodo-2-methyl-
CAS No:56778-49-5
MF:C6H7IO
MW:222.023654222488
CID:347843
PubChem ID:10900189
Update Time:2025-04-19
2-Cyclopenten-1-one, 3-iodo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one, 3-iodo-2-methyl-
- 3-iodo-2-methylcyclopent-2-en-1-one
- 56778-49-5
- DTXSID50447709
- SCHEMBL15903263
-
- Inchi： 1S/C6H7IO/c1-4-5(7)2-3-6(4)8/h2-3H2,1H3
- InChI Key： LMTLWTVJFRYXDO-UHFFFAOYSA-N
- SMILES： IC1=C(C)C(CC1)=O
Computed Properties
- Exact Mass: 221.95371
- Monoisotopic Mass: 221.95416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Cyclopenten-1-one, 3-iodo-2-methyl- Related Literature
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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