Cas no 89915-47-9 (Illifunone C)
Illifunone C structure
Product Name:Illifunone C
CAS No:89915-47-9
MF:C14H20O4
MW:252.306204795837
CID:733724
Update Time:2024-03-01
Illifunone C Chemical and Physical Properties
Names and Identifiers
-
- 6(2H)-Benzofuranone,3,3a,4,5-tetrahydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(2-propen-1-yl)-,(2R,3aS,5R)-
- ILLIFUNONE-C
- illifunone C
- Illifunone C
-
- Inchi： 1S/C14H20O4/c1-4-5-9-7-14(17)8-12(13(2,3)16)18-11(14)6-10(9)15/h4,6,9,12,16-17H,1,5,7-8H2,2-3H3/t9-,12-,14+/m1/s1
- InChI Key： WTNZYSLGDGRFTH-IUPBHXKESA-N
- SMILES： O1C2=CC([C@H](CC=C)C[C@@]2(C[C@@H]1C(C)(C)O)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 410
- Topological Polar Surface Area: 66.8
- XLogP3: 0.843
Illifunone C Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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