541-98-0 ((6-methyl-2H-pyran-2,4(3H)-dione)

快速询单

结构式：

6-methyl-2H-pyran-2,4(3H)-dioneMOL文件

CAS号：

541-98-0

英文名称：

6-methyl-2H-pyran-2,4(3H)-dione

分子式：

C₆H₆O₃

分子量：

126.110042095184

6-methyl-2H-pyran-2,4(3H)-dione(541-98-0)名称与标识符

名称

英文别名：

6-methyl-2H-pyran-2,4(3H)-dione;6-methylpyran-2,4-dione;6-Methyl-3,4-dihydro-2H-pyran-2,4-dione;6-methyl-3H-pyran-2,4-dione;6-Methyl-pyran-2,4-dion;6-methyl-pyran-2,4-dione;AC1L5ZNO;AC1Q6BY0;AR-1H2163;CTK4J9959;NSC139162;SureCN5207279;DTXSID90300829;541-98-0;SCHEMBL5207279;6-Methyl-2H-pyran-2,4(3H)-dione #;CS-0367334;DS-009139;NSC-139162;AKOS004907281;6-Methyl-2,3-dihydropyran-2,4-dione;MFCD01444634;

标识符

InChIKey：

GYHBVAHWGBJKHA-UHFFFAOYSA-N

Inchi：

1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2H,3H2,1H3

SMILES：

O1C(CC(C=C1C)=O)=O

6-methyl-2H-pyran-2,4(3H)-dione(541-98-0)物化性质

实验特性

LogP : 0.40620
PSA : 43.37
折射率 : 1.486
沸点 : 257.4°C at 760 mmHg
闪点 : 112.7°C
密度 : 1.239

计算特性

精确分子量 : 126.03168
氢键供体数量 : 0
氢键受体数量 : 3
可旋转化学键数量 : 0
同位素质量 : 126.032
重原子数量 : 9
复杂度 : 191
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 0.3
拓扑分子极性表面积 : 43.4Å²

6-methyl-2H-pyran-2,4(3H)-dione(541-98-0)相关文献

1. Index pages
J. Chem. Soc. Perkin Trans. 2 1982 A001
2. 1H, 13C, and 15N nuclear magnetic resonance studies on the tautomerism of the Schiff's bases of 3-acetyl-6-methyl-2H-pyran-2,4(3H)-dione and 3,5-diacetyltetrahydropyran-2,4,6-trione
Sau-Fun Tan,Kok-Peng Ang,H. L. Jayachandran,Alan J. Jones,William R. Begg J. Chem. Soc. Perkin Trans. 2 1982 513
3. Cascade [4 + 1] annulation via more environmentally friendly nitrogen ylides in water: synthesis of bicyclic and tricyclic fused dihydrofurans
Atul Kumar,Suman Srivastava,Garima Gupta Green Chem. 2012 14 3269
4. 995. Dehydroacetic acid and its derivatives
J. D. Edwards,J. E. Page,M. Pianka J. Chem. Soc. 1964 5200
5. Synthesis, characterization and utility of a series of novel copper(ii) complexes as excellent surface disinfectants against nosocomial infections
Richa,Namrata Kushwaha,Sheetal Negi,Ajay Kumar,Ennio Zangrando,Ramesh Kataria,Vikram Saini Dalton Trans. 2021 50 13699
6. Betaine mediated synthesis of annulated dihydrofurans from oxobis(methylthio)ketene acetals and N-butyl-N′-methyl ethane-1,2-diamine as precursors via NHC elimination
Atul Kumar,Shivam Maurya,Kemant Pratap,Suman Srivastava Chem. Commun. 2016 52 2795
7. Marine natural products
John W. Blunt,Brent R. Copp,Robert A. Keyzers,Murray H. G. Munro,Michèle R. Prinsep Nat. Prod. Rep. 2014 31 160
8. The endophytic Fusarium strains: a treasure trove of natural products
Arwa Mortada Ahmed,Basma Khalaf Mahmoud,Natalie Millán-Agui?aga,Usama Ramadan Abdelmohsen,Mostafa Ahmed Fouad RSC Adv. 2023 13 1339
9. Bioactive natural products derived from mangrove-associated microbes
Jing Xu RSC Adv. 2015 5 841
10. Secondary metabolites from mangrove-associated fungi: source, chemistry and bioactivities
Senhua Chen,Runlin Cai,Zhaoming Liu,Hui Cui,Zhigang She Nat. Prod. Rep. 2022 39 560

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