Cas no 412284-30-1 (1H-Indene-1,3(2H)-dione,4-hydroxy-7-methyl-2-propyl-)
412284-30-1 structure
Product Name:1H-Indene-1,3(2H)-dione,4-hydroxy-7-methyl-2-propyl-
CAS No:412284-30-1
MF:C13H14O3
MW:218.248464107513
CID:326428
Update Time:2024-01-28
1H-Indene-1,3(2H)-dione,4-hydroxy-7-methyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Indene-1,3(2H)-dione,4-hydroxy-7-methyl-2-propyl-
- 1H-Indene-1,3(2H)-dione, 4-hydroxy-7-methyl-2-propyl- (9CI)
- 1H-Indene-1,3(2H)-dione, 4-hydroxy-7-methyl-2-propyl-
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- Inchi： 1S/C13H14O3/c1-3-4-8-12(15)10-7(2)5-6-9(14)11(10)13(8)16/h5-6,8,14H,3-4H2,1-2H3
- InChI Key： CTDWUDIZTUDRIU-UHFFFAOYSA-N
- SMILES： C1(=O)C2=C(C(O)=CC=C2C)C(=O)C1CCC
Computed Properties
- Exact Mass: 218.094
- Monoisotopic Mass: 218.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 54.4A^2
Experimental Properties
- Density: 1.210±0.06 g/cm3(Predicted)
- Melting Point: 187 °C
- Boiling Point: 414.0±45.0 °C(Predicted)
- pka: 7.03±0.40(Predicted)
1H-Indene-1,3(2H)-dione,4-hydroxy-7-methyl-2-propyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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