Cas no 57172-42-6 (5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate)
57172-42-6 structure
Product Name:5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
CAS No:57172-42-6
MF:C8H10O5
MW:186.162003040314
CID:2187408
Update Time:2023-08-05
5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate Chemical and Physical Properties
Names and Identifiers
-
- 4-Acetoxy-5-hydroxy-5-hydroxymethyl-2-cyclopenten-1-one
- PENTENOMYCIN II, (+)-
- NSC306406
- 5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate
-
- Inchi： 1S/C8H10O5/c1-5(10)13-7-3-2-6(11)8(7,12)4-9/h2-3,7,9,12H,4H2,1H3
- InChI Key： AGNRGFRAFJOXHH-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(C1(CO)O)=O
Computed Properties
- Exact Mass: 186.053
- Monoisotopic Mass: 186.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 270
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 83.8
Experimental Properties
- Density: 1.4
- Boiling Point: 339.8°C at 760 mmHg
- Flash Point: 139.7°C
- Refractive Index: 1.546
- PSA: 83.83000
- LogP: -1.21960
5-Hydroxy-5-(hydroxymethyl)-4-oxocyclopent-2-en-1-yl acetate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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