Cas no 948557-12-8 (4-Hydroxy-5-methyl-2-methylene-3(2H)-furanone)
948557-12-8 structure
Product Name:4-Hydroxy-5-methyl-2-methylene-3(2H)-furanone
CAS No:948557-12-8
MF:C6H6O3
MW:126.110042095184
CID:1064593
PubChem ID:17755065
Update Time:2025-04-20
4-Hydroxy-5-methyl-2-methylene-3(2H)-furanone Chemical and Physical Properties
Names and Identifiers
-
- 4-Hydroxy-5-methyl-2-methylene-3(2H)-furanone
- C20718
- 4-hydroxy-5-methyl-2-methylenefuran-3-one
- 4-hydroxy-5-methyl-2-methylenefuran-3(2H)-one
- 948557-12-8
- SCHEMBL15154876
- (2E)-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone
- Q27145834
- CHEBI:76245
- 4-hydroxy-5-methyl-2-methylidenefuran-3-one
- starbld0006960
- 4-hydroxy-5-methyl-2-methylene-3-furanone
- DB-295355
-
- Inchi： 1S/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h8H,1H2,2H3
- InChI Key： NPMQEIOINVDLMV-UHFFFAOYSA-N
- SMILES： O1C(=C)C(C(=C1C)O)=O
Computed Properties
- Exact Mass: 126.031694049g/mol
- Monoisotopic Mass: 126.031694049g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 212
- 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: 0.9
- Topological Polar Surface Area: 46.5?2
4-Hydroxy-5-methyl-2-methylene-3(2H)-furanone Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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
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