Cas no 66606-21-1 (Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium)
66606-21-1 structure
Product Name:Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium
CAS No:66606-21-1
MF:C16H14CaO8
MW:374.355564594269
CID:964260
Update Time:2023-08-02
Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium Chemical and Physical Properties
Names and Identifiers
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- calcium dehydroacetate
- Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium
- calcium 3-acetyl-6-methyl-2-oxo-2H-pyran-4-olate
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- Inchi： 1S/2C8H8O4.Ca/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,10H,1-2H3;/q;;+2/p-2
- InChI Key： MFBPHBWAQKFBOH-UHFFFAOYSA-L
- SMILES： [Ca+2].O1C(C(C(C)=O)=C(C=C1C)[O-])=O.O1C(C(C(C)=O)=C(C=C1C)[O-])=O
Computed Properties
- Exact Mass: 374.031
- Monoisotopic Mass: 374.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 688
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 133
Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato)calcium Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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